data_6940 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6940 _Entry.Title ; NMR assignment of the 2H, 13C, 15N labeled amino-terminal domain of apo-pantothenate synthetase from E.coli. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-16 _Entry.Accession_date 2006-01-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Kalyan Sundar' Chakrabarti . . . 6940 2 Siddhartha Sarma . P. . 6940 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Indian Institute of Science' . 6940 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6940 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 6940 '15N chemical shifts' 152 6940 '1H chemical shifts' 152 6940 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2006-01-16 update BMRB 'complete entry citation' 6940 1 . . 2006-06-26 2006-01-16 original author 'original release' 6940 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6940 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16705359 _Citation.Full_citation . _Citation.Title ; NMR Assignment of 2H, 13C and 15N Labeled Amino-Terminal Domain of Apo-Pantothenate Synthetase from E. coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 38 _Citation.Page_last 38 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Kalyan Sundar' Chakrabarti . . . 6940 1 2 Siddhartha Sarma . P. . 6940 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6940 1 'Pantothenate synthetase' 6940 1 Perdeuterattion 6940 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6940 _Assembly.ID 1 _Assembly.Name 'pantothenate synthetase dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state unkown _Assembly.Molecular_mass 21957.0 _Assembly.Enzyme_commission_number 'EC 6.3.2.1' _Assembly.Details 'Dimer of the catalytic domain (residues 1-176) of pantothenate synthetase from E.coli' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6940 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'amino-terminal pantothenate synthetase, chain 1' 1 $npanc . . yes native no no . . . 6940 1 2 'amino-terminal pantothenate synthetase, chain 2' 1 $npanc . . yes native no no . . . 6940 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_npanc _Entity.Sf_category entity _Entity.Sf_framecode npanc _Entity.Entry_ID 6940 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name panc _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLIIETLPLLRQQIRRLRME GKRVALVPTMGNLHDGHMKL VDEAKARADVVAVSIFVNPM QFDRPEDLARYPRTLQEDCE KLNKRKVDLVFAPSVKEIYP NGTETHTYVDVPGLSTMLEG ASRPGHFRGVSTIVSKLFNL VQPDIACFGEKDFQQLALIR KMVADMGFDIEIVGVP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unkown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19830 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1IHO . "Crystal Apo-structure Of Pantothenate Synthetase From E. Coli" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 2 no PDB 3GUZ . "Structural And Substrate-Binding Studies Of Pantothenate Synthenate (Ps)provide Insights Into Homotropic Inhibition By Pantoate" . . . . . 100.00 176 100.00 100.00 7.32e-125 . . . . 6940 1 3 no DBJ BAB33560 . "pantothenate synthetase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 283 99.43 99.43 1.97e-124 . . . . 6940 1 4 no DBJ BAE76042 . "pantothenate synthetase [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 5 no DBJ BAG75657 . "pantothenate synthase [Escherichia coli SE11]" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 6 no DBJ BAI23496 . "pantothenate synthetase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 283 99.43 99.43 2.06e-124 . . . . 6940 1 7 no DBJ BAI29011 . "pantothenate synthetase [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 8 no EMBL CAP74704 . "Pantoate--beta-alanine ligase [Escherichia coli LF82]" . . . . . 100.00 283 99.43 99.43 2.33e-124 . . . . 6940 1 9 no EMBL CAQ30648 . "pantothenate synthetase monomer, subunit of pantothenate synthetase [Escherichia coli BL21(DE3)]" . . . . . 100.00 283 99.43 99.43 2.40e-124 . . . . 6940 1 10 no EMBL CAQ87737 . "pantothenate synthetase [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 283 99.43 99.43 2.09e-124 . . . . 6940 1 11 no EMBL CAQ97020 . "pantothenate synthetase [Escherichia coli IAI1]" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 12 no EMBL CAR01508 . "pantothenate synthetase [Escherichia coli S88]" . . . . . 100.00 283 98.86 98.86 1.91e-123 . . . . 6940 1 13 no GB AAA24272 . "pantothenate synthetase [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 14 no GB AAC73244 . "pantothenate synthetase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 15 no GB AAG54437 . "pantothenate synthetase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 283 99.43 99.43 1.97e-124 . . . . 6940 1 16 no GB AAN41793 . "pantothenate synthetase [Shigella flexneri 2a str. 301]" . . . . . 100.00 283 98.86 99.43 9.93e-124 . . . . 6940 1 17 no GB AAN78658 . "Pantoate--beta-alanine ligase [Escherichia coli CFT073]" . . . . . 85.23 257 98.67 99.33 8.96e-105 . . . . 6940 1 18 no REF NP_285829 . "pantoate--beta-alanine ligase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 283 99.43 99.43 1.97e-124 . . . . 6940 1 19 no REF NP_308164 . "pantoate--beta-alanine ligase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 283 99.43 99.43 1.97e-124 . . . . 6940 1 20 no REF NP_414675 . "pantothenate synthetase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 21 no REF NP_706086 . "pantoate--beta-alanine ligase [Shigella flexneri 2a str. 301]" . . . . . 100.00 283 98.86 99.43 9.93e-124 . . . . 6940 1 22 no REF NP_752114 . "pantoate--beta-alanine ligase [Escherichia coli CFT073]" . . . . . 85.23 257 98.67 99.33 8.96e-105 . . . . 6940 1 23 no SP A1A7H9 . "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" . . . . . 100.00 283 99.43 99.43 2.33e-124 . . . . 6940 1 24 no SP A7ZHM3 . "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 25 no SP A7ZW82 . "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" . . . . . 100.00 283 99.43 99.43 2.25e-124 . . . . 6940 1 26 no SP B1IQK7 . "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" . . . . . 100.00 283 99.43 99.43 2.40e-124 . . . . 6940 1 27 no SP B1LGT5 . "RecName: Full=Pantothenate synthetase; Short=PS; AltName: Full=Pantoate--beta-alanine ligase; AltName: Full=Pantoate-activating" . . . . . 100.00 283 99.43 99.43 2.59e-124 . . . . 6940 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6940 1 2 . LEU . 6940 1 3 . ILE . 6940 1 4 . ILE . 6940 1 5 . GLU . 6940 1 6 . THR . 6940 1 7 . LEU . 6940 1 8 . PRO . 6940 1 9 . LEU . 6940 1 10 . LEU . 6940 1 11 . ARG . 6940 1 12 . GLN . 6940 1 13 . GLN . 6940 1 14 . ILE . 6940 1 15 . ARG . 6940 1 16 . ARG . 6940 1 17 . LEU . 6940 1 18 . ARG . 6940 1 19 . MET . 6940 1 20 . GLU . 6940 1 21 . GLY . 6940 1 22 . LYS . 6940 1 23 . ARG . 6940 1 24 . VAL . 6940 1 25 . ALA . 6940 1 26 . LEU . 6940 1 27 . VAL . 6940 1 28 . PRO . 6940 1 29 . THR . 6940 1 30 . MET . 6940 1 31 . GLY . 6940 1 32 . ASN . 6940 1 33 . LEU . 6940 1 34 . HIS . 6940 1 35 . ASP . 6940 1 36 . GLY . 6940 1 37 . HIS . 6940 1 38 . MET . 6940 1 39 . LYS . 6940 1 40 . LEU . 6940 1 41 . VAL . 6940 1 42 . ASP . 6940 1 43 . GLU . 6940 1 44 . ALA . 6940 1 45 . LYS . 6940 1 46 . ALA . 6940 1 47 . ARG . 6940 1 48 . ALA . 6940 1 49 . ASP . 6940 1 50 . VAL . 6940 1 51 . VAL . 6940 1 52 . ALA . 6940 1 53 . VAL . 6940 1 54 . SER . 6940 1 55 . ILE . 6940 1 56 . PHE . 6940 1 57 . VAL . 6940 1 58 . ASN . 6940 1 59 . PRO . 6940 1 60 . MET . 6940 1 61 . GLN . 6940 1 62 . PHE . 6940 1 63 . ASP . 6940 1 64 . ARG . 6940 1 65 . PRO . 6940 1 66 . GLU . 6940 1 67 . ASP . 6940 1 68 . LEU . 6940 1 69 . ALA . 6940 1 70 . ARG . 6940 1 71 . TYR . 6940 1 72 . PRO . 6940 1 73 . ARG . 6940 1 74 . THR . 6940 1 75 . LEU . 6940 1 76 . GLN . 6940 1 77 . GLU . 6940 1 78 . ASP . 6940 1 79 . CYS . 6940 1 80 . GLU . 6940 1 81 . LYS . 6940 1 82 . LEU . 6940 1 83 . ASN . 6940 1 84 . LYS . 6940 1 85 . ARG . 6940 1 86 . LYS . 6940 1 87 . VAL . 6940 1 88 . ASP . 6940 1 89 . LEU . 6940 1 90 . VAL . 6940 1 91 . PHE . 6940 1 92 . ALA . 6940 1 93 . PRO . 6940 1 94 . SER . 6940 1 95 . VAL . 6940 1 96 . LYS . 6940 1 97 . GLU . 6940 1 98 . ILE . 6940 1 99 . TYR . 6940 1 100 . PRO . 6940 1 101 . ASN . 6940 1 102 . GLY . 6940 1 103 . THR . 6940 1 104 . GLU . 6940 1 105 . THR . 6940 1 106 . HIS . 6940 1 107 . THR . 6940 1 108 . TYR . 6940 1 109 . VAL . 6940 1 110 . ASP . 6940 1 111 . VAL . 6940 1 112 . PRO . 6940 1 113 . GLY . 6940 1 114 . LEU . 6940 1 115 . SER . 6940 1 116 . THR . 6940 1 117 . MET . 6940 1 118 . LEU . 6940 1 119 . GLU . 6940 1 120 . GLY . 6940 1 121 . ALA . 6940 1 122 . SER . 6940 1 123 . ARG . 6940 1 124 . PRO . 6940 1 125 . GLY . 6940 1 126 . HIS . 6940 1 127 . PHE . 6940 1 128 . ARG . 6940 1 129 . GLY . 6940 1 130 . VAL . 6940 1 131 . SER . 6940 1 132 . THR . 6940 1 133 . ILE . 6940 1 134 . VAL . 6940 1 135 . SER . 6940 1 136 . LYS . 6940 1 137 . LEU . 6940 1 138 . PHE . 6940 1 139 . ASN . 6940 1 140 . LEU . 6940 1 141 . VAL . 6940 1 142 . GLN . 6940 1 143 . PRO . 6940 1 144 . ASP . 6940 1 145 . ILE . 6940 1 146 . ALA . 6940 1 147 . CYS . 6940 1 148 . PHE . 6940 1 149 . GLY . 6940 1 150 . GLU . 6940 1 151 . LYS . 6940 1 152 . ASP . 6940 1 153 . PHE . 6940 1 154 . GLN . 6940 1 155 . GLN . 6940 1 156 . LEU . 6940 1 157 . ALA . 6940 1 158 . LEU . 6940 1 159 . ILE . 6940 1 160 . ARG . 6940 1 161 . LYS . 6940 1 162 . MET . 6940 1 163 . VAL . 6940 1 164 . ALA . 6940 1 165 . ASP . 6940 1 166 . MET . 6940 1 167 . GLY . 6940 1 168 . PHE . 6940 1 169 . ASP . 6940 1 170 . ILE . 6940 1 171 . GLU . 6940 1 172 . ILE . 6940 1 173 . VAL . 6940 1 174 . GLY . 6940 1 175 . VAL . 6940 1 176 . PRO . 6940 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6940 1 . LEU 2 2 6940 1 . ILE 3 3 6940 1 . ILE 4 4 6940 1 . GLU 5 5 6940 1 . THR 6 6 6940 1 . LEU 7 7 6940 1 . PRO 8 8 6940 1 . LEU 9 9 6940 1 . LEU 10 10 6940 1 . ARG 11 11 6940 1 . GLN 12 12 6940 1 . GLN 13 13 6940 1 . ILE 14 14 6940 1 . ARG 15 15 6940 1 . ARG 16 16 6940 1 . LEU 17 17 6940 1 . ARG 18 18 6940 1 . MET 19 19 6940 1 . GLU 20 20 6940 1 . GLY 21 21 6940 1 . LYS 22 22 6940 1 . ARG 23 23 6940 1 . VAL 24 24 6940 1 . ALA 25 25 6940 1 . LEU 26 26 6940 1 . VAL 27 27 6940 1 . PRO 28 28 6940 1 . THR 29 29 6940 1 . MET 30 30 6940 1 . GLY 31 31 6940 1 . ASN 32 32 6940 1 . LEU 33 33 6940 1 . HIS 34 34 6940 1 . ASP 35 35 6940 1 . GLY 36 36 6940 1 . HIS 37 37 6940 1 . MET 38 38 6940 1 . LYS 39 39 6940 1 . LEU 40 40 6940 1 . VAL 41 41 6940 1 . ASP 42 42 6940 1 . GLU 43 43 6940 1 . ALA 44 44 6940 1 . LYS 45 45 6940 1 . ALA 46 46 6940 1 . ARG 47 47 6940 1 . ALA 48 48 6940 1 . ASP 49 49 6940 1 . VAL 50 50 6940 1 . VAL 51 51 6940 1 . ALA 52 52 6940 1 . VAL 53 53 6940 1 . SER 54 54 6940 1 . ILE 55 55 6940 1 . PHE 56 56 6940 1 . VAL 57 57 6940 1 . ASN 58 58 6940 1 . PRO 59 59 6940 1 . MET 60 60 6940 1 . GLN 61 61 6940 1 . PHE 62 62 6940 1 . ASP 63 63 6940 1 . ARG 64 64 6940 1 . PRO 65 65 6940 1 . GLU 66 66 6940 1 . ASP 67 67 6940 1 . LEU 68 68 6940 1 . ALA 69 69 6940 1 . ARG 70 70 6940 1 . TYR 71 71 6940 1 . PRO 72 72 6940 1 . ARG 73 73 6940 1 . THR 74 74 6940 1 . LEU 75 75 6940 1 . GLN 76 76 6940 1 . GLU 77 77 6940 1 . ASP 78 78 6940 1 . CYS 79 79 6940 1 . GLU 80 80 6940 1 . LYS 81 81 6940 1 . LEU 82 82 6940 1 . ASN 83 83 6940 1 . LYS 84 84 6940 1 . ARG 85 85 6940 1 . LYS 86 86 6940 1 . VAL 87 87 6940 1 . ASP 88 88 6940 1 . LEU 89 89 6940 1 . VAL 90 90 6940 1 . PHE 91 91 6940 1 . ALA 92 92 6940 1 . PRO 93 93 6940 1 . SER 94 94 6940 1 . VAL 95 95 6940 1 . LYS 96 96 6940 1 . GLU 97 97 6940 1 . ILE 98 98 6940 1 . TYR 99 99 6940 1 . PRO 100 100 6940 1 . ASN 101 101 6940 1 . GLY 102 102 6940 1 . THR 103 103 6940 1 . GLU 104 104 6940 1 . THR 105 105 6940 1 . HIS 106 106 6940 1 . THR 107 107 6940 1 . TYR 108 108 6940 1 . VAL 109 109 6940 1 . ASP 110 110 6940 1 . VAL 111 111 6940 1 . PRO 112 112 6940 1 . GLY 113 113 6940 1 . LEU 114 114 6940 1 . SER 115 115 6940 1 . THR 116 116 6940 1 . MET 117 117 6940 1 . LEU 118 118 6940 1 . GLU 119 119 6940 1 . GLY 120 120 6940 1 . ALA 121 121 6940 1 . SER 122 122 6940 1 . ARG 123 123 6940 1 . PRO 124 124 6940 1 . GLY 125 125 6940 1 . HIS 126 126 6940 1 . PHE 127 127 6940 1 . ARG 128 128 6940 1 . GLY 129 129 6940 1 . VAL 130 130 6940 1 . SER 131 131 6940 1 . THR 132 132 6940 1 . ILE 133 133 6940 1 . VAL 134 134 6940 1 . SER 135 135 6940 1 . LYS 136 136 6940 1 . LEU 137 137 6940 1 . PHE 138 138 6940 1 . ASN 139 139 6940 1 . LEU 140 140 6940 1 . VAL 141 141 6940 1 . GLN 142 142 6940 1 . PRO 143 143 6940 1 . ASP 144 144 6940 1 . ILE 145 145 6940 1 . ALA 146 146 6940 1 . CYS 147 147 6940 1 . PHE 148 148 6940 1 . GLY 149 149 6940 1 . GLU 150 150 6940 1 . LYS 151 151 6940 1 . ASP 152 152 6940 1 . PHE 153 153 6940 1 . GLN 154 154 6940 1 . GLN 155 155 6940 1 . LEU 156 156 6940 1 . ALA 157 157 6940 1 . LEU 158 158 6940 1 . ILE 159 159 6940 1 . ARG 160 160 6940 1 . LYS 161 161 6940 1 . MET 162 162 6940 1 . VAL 163 163 6940 1 . ALA 164 164 6940 1 . ASP 165 165 6940 1 . MET 166 166 6940 1 . GLY 167 167 6940 1 . PHE 168 168 6940 1 . ASP 169 169 6940 1 . ILE 170 170 6940 1 . GLU 171 171 6940 1 . ILE 172 172 6940 1 . VAL 173 173 6940 1 . GLY 174 174 6940 1 . VAL 175 175 6940 1 . PRO 176 176 6940 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6940 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $npanc . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6940 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 6940 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $npanc . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6940 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6940 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 panc '[U-90% 2H; U->98% 13C; U->98% 15N]' . . 1 $npanc . . 0.6 0.55 0.65 mM 0.05 . . . 6940 1 2 'K2HPO4/KH2PO4 buffer' . . . . . . . 10 . . mM . . . . 6940 1 3 NaCl . . . . . . . 10 . . mM . . . . 6940 1 4 'DTT (Dithiothreitol)' . . . . . . . 1 . . mM . . . . 6940 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6940 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 1 mM 6940 1 pH 6.8 0.1 pH 6940 1 temperature 300 0.5 K 6940 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6940 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6940 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 TROSY_1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6940 1 2 TROSY_HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6940 1 3 TROSY_HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6940 1 4 TROSY_HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6940 1 5 TROSY_HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6940 1 6 TROSY-HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6940 1 7 3D_NOE_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6940 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6940 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.251449519 . . . 1 $entry_citation . . 1 $entry_citation 6940 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6940 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.101329112 . . . 1 $entry_citation . . 1 $entry_citation 6940 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6940 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6940 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 175.12 0.09 . 1 . . . . 1 MET CO . 6940 1 2 . 1 1 1 1 MET CA C 13 55.15 0.12 . 1 . . . . 1 MET CA . 6940 1 3 . 1 1 1 1 MET CB C 13 34.10 0.27 . 1 . . . . 1 MET CB . 6940 1 4 . 1 1 2 2 LEU H H 1 7.832 0.01 . 1 . . . . 2 LEU H . 6940 1 5 . 1 1 2 2 LEU C C 13 176.42 0.09 . 1 . . . . 2 LEU CO . 6940 1 6 . 1 1 2 2 LEU CA C 13 53.60 0.12 . 1 . . . . 2 LEU CA . 6940 1 7 . 1 1 2 2 LEU CB C 13 42.41 0.23 . 1 . . . . 2 LEU CB . 6940 1 8 . 1 1 2 2 LEU N N 15 127.88 0.23 . 1 . . . . 2 LEU N . 6940 1 9 . 1 1 3 3 ILE H H 1 8.697 0.01 . 1 . . . . 3 ILE H . 6940 1 10 . 1 1 3 3 ILE C C 13 176.57 0.09 . 1 . . . . 3 ILE CO . 6940 1 11 . 1 1 3 3 ILE CA C 13 60.72 0.12 . 1 . . . . 3 ILE CA . 6940 1 12 . 1 1 3 3 ILE CB C 13 36.60 0.23 . 1 . . . . 3 ILE CB . 6940 1 13 . 1 1 3 3 ILE N N 15 125.36 0.23 . 1 . . . . 3 ILE N . 6940 1 14 . 1 1 4 4 ILE H H 1 9.383 0.01 . 1 . . . . 4 ILE H . 6940 1 15 . 1 1 4 4 ILE C C 13 176.74 0.09 . 1 . . . . 4 ILE CO . 6940 1 16 . 1 1 4 4 ILE CA C 13 59.67 0.12 . 1 . . . . 4 ILE CA . 6940 1 17 . 1 1 4 4 ILE CB C 13 38.79 0.23 . 1 . . . . 4 ILE CB . 6940 1 18 . 1 1 4 4 ILE N N 15 127.67 0.23 . 1 . . . . 4 ILE N . 6940 1 19 . 1 1 5 5 GLU H H 1 9.429 0.01 . 1 . . . . 5 GLU H . 6940 1 20 . 1 1 5 5 GLU C C 13 176.91 0.09 . 1 . . . . 5 GLU CO . 6940 1 21 . 1 1 5 5 GLU CA C 13 55.43 0.12 . 1 . . . . 5 GLU CA . 6940 1 22 . 1 1 5 5 GLU CB C 13 31.04 0.23 . 1 . . . . 5 GLU CB . 6940 1 23 . 1 1 5 5 GLU N N 15 123.69 0.23 . 1 . . . . 5 GLU N . 6940 1 24 . 1 1 6 6 THR H H 1 7.176 0.01 . 1 . . . . 6 THR H . 6940 1 25 . 1 1 6 6 THR C C 13 175.92 0.09 . 1 . . . . 6 THR CO . 6940 1 26 . 1 1 6 6 THR CA C 13 58.15 0.12 . 1 . . . . 6 THR CA . 6940 1 27 . 1 1 6 6 THR CB C 13 70.33 0.23 . 1 . . . . 6 THR CB . 6940 1 28 . 1 1 6 6 THR N N 15 106.56 0.23 . 1 . . . . 6 THR N . 6940 1 29 . 1 1 7 7 LEU H H 1 9.667 0.01 . 1 . . . . 7 LEU H . 6940 1 30 . 1 1 7 7 LEU CA C 13 59.04 0.12 . 1 . . . . 7 LEU CA . 6940 1 31 . 1 1 7 7 LEU N N 15 121.92 0.23 . 1 . . . . 7 LEU N . 6940 1 32 . 1 1 8 8 PRO C C 13 178.96 0.09 . 1 . . . . 8 PRO CO . 6940 1 33 . 1 1 8 8 PRO CA C 13 65.58 0.12 . 1 . . . . 8 PRO CA . 6940 1 34 . 1 1 8 8 PRO CB C 13 29.40 0.27 . 1 . . . . 8 PRO CB . 6940 1 35 . 1 1 9 9 LEU H H 1 6.762 0.01 . 1 . . . . 9 LEU H . 6940 1 36 . 1 1 9 9 LEU C C 13 178.57 0.09 . 1 . . . . 9 LEU CO . 6940 1 37 . 1 1 9 9 LEU CA C 13 56.56 0.12 . 1 . . . . 9 LEU CA . 6940 1 38 . 1 1 9 9 LEU CB C 13 39.50 0.23 . 1 . . . . 9 LEU CB . 6940 1 39 . 1 1 9 9 LEU N N 15 115.57 0.23 . 1 . . . . 9 LEU N . 6940 1 40 . 1 1 10 10 LEU H H 1 7.692 0.01 . 1 . . . . 10 LEU H . 6940 1 41 . 1 1 10 10 LEU C C 13 178.00 0.09 . 1 . . . . 10 LEU CO . 6940 1 42 . 1 1 10 10 LEU CA C 13 57.79 0.12 . 1 . . . . 10 LEU CA . 6940 1 43 . 1 1 10 10 LEU CB C 13 39.17 0.23 . 1 . . . . 10 LEU CB . 6940 1 44 . 1 1 10 10 LEU N N 15 121.40 0.23 . 1 . . . . 10 LEU N . 6940 1 45 . 1 1 11 11 ARG H H 1 8.396 0.01 . 1 . . . . 11 ARG H . 6940 1 46 . 1 1 11 11 ARG C C 13 178.33 0.09 . 1 . . . . 11 ARG CO . 6940 1 47 . 1 1 11 11 ARG CA C 13 58.34 0.12 . 1 . . . . 11 ARG CA . 6940 1 48 . 1 1 11 11 ARG CB C 13 27.58 0.23 . 1 . . . . 11 ARG CB . 6940 1 49 . 1 1 11 11 ARG N N 15 116.60 0.23 . 1 . . . . 11 ARG N . 6940 1 50 . 1 1 12 12 GLN H H 1 7.651 0.01 . 1 . . . . 12 GLN H . 6940 1 51 . 1 1 12 12 GLN C C 13 178.44 0.09 . 1 . . . . 12 GLN CO . 6940 1 52 . 1 1 12 12 GLN CA C 13 58.42 0.12 . 1 . . . . 12 GLN CA . 6940 1 53 . 1 1 12 12 GLN CB C 13 27.42 0.23 . 1 . . . . 12 GLN CB . 6940 1 54 . 1 1 12 12 GLN N N 15 116.10 0.23 . 1 . . . . 12 GLN N . 6940 1 55 . 1 1 13 13 GLN H H 1 7.686 0.01 . 1 . . . . 13 GLN H . 6940 1 56 . 1 1 13 13 GLN C C 13 177.85 0.09 . 1 . . . . 13 GLN CO . 6940 1 57 . 1 1 13 13 GLN CA C 13 57.22 0.12 . 1 . . . . 13 GLN CA . 6940 1 58 . 1 1 13 13 GLN CB C 13 25.91 0.23 . 1 . . . . 13 GLN CB . 6940 1 59 . 1 1 13 13 GLN N N 15 117.51 0.23 . 1 . . . . 13 GLN N . 6940 1 60 . 1 1 14 14 ILE H H 1 8.520 0.01 . 1 . . . . 14 ILE H . 6940 1 61 . 1 1 14 14 ILE C C 13 178.16 0.09 . 1 . . . . 14 ILE CO . 6940 1 62 . 1 1 14 14 ILE CA C 13 61.48 0.12 . 1 . . . . 14 ILE CA . 6940 1 63 . 1 1 14 14 ILE CB C 13 33.73 0.23 . 1 . . . . 14 ILE CB . 6940 1 64 . 1 1 14 14 ILE N N 15 119.33 0.23 . 1 . . . . 14 ILE N . 6940 1 65 . 1 1 15 15 ARG H H 1 8.206 0.01 . 1 . . . . 15 ARG H . 6940 1 66 . 1 1 15 15 ARG C C 13 178.50 0.09 . 1 . . . . 15 ARG CO . 6940 1 67 . 1 1 15 15 ARG CA C 13 59.25 0.12 . 1 . . . . 15 ARG CA . 6940 1 68 . 1 1 15 15 ARG CB C 13 28.25 0.23 . 1 . . . . 15 ARG CB . 6940 1 69 . 1 1 15 15 ARG N N 15 118.35 0.23 . 1 . . . . 15 ARG N . 6940 1 70 . 1 1 16 16 ARG H H 1 7.284 0.01 . 1 . . . . 16 ARG H . 6940 1 71 . 1 1 16 16 ARG C C 13 178.14 0.09 . 1 . . . . 16 ARG CO . 6940 1 72 . 1 1 16 16 ARG CA C 13 58.88 0.12 . 1 . . . . 16 ARG CA . 6940 1 73 . 1 1 16 16 ARG CB C 13 27.85 0.23 . 1 . . . . 16 ARG CB . 6940 1 74 . 1 1 16 16 ARG N N 15 118.57 0.23 . 1 . . . . 16 ARG N . 6940 1 75 . 1 1 17 17 LEU H H 1 8.051 0.01 . 1 . . . . 17 LEU H . 6940 1 76 . 1 1 17 17 LEU C C 13 178.55 0.09 . 1 . . . . 17 LEU CO . 6940 1 77 . 1 1 17 17 LEU CA C 13 57.36 0.12 . 1 . . . . 17 LEU CA . 6940 1 78 . 1 1 17 17 LEU CB C 13 39.95 0.23 . 1 . . . . 17 LEU CB . 6940 1 79 . 1 1 17 17 LEU N N 15 119.17 0.23 . 1 . . . . 17 LEU N . 6940 1 80 . 1 1 18 18 ARG H H 1 8.295 0.01 . 1 . . . . 18 ARG H . 6940 1 81 . 1 1 18 18 ARG C C 13 179.29 0.09 . 1 . . . . 18 ARG CO . 6940 1 82 . 1 1 18 18 ARG CA C 13 58.29 0.12 . 1 . . . . 18 ARG CA . 6940 1 83 . 1 1 18 18 ARG CB C 13 27.98 0.23 . 1 . . . . 18 ARG CB . 6940 1 84 . 1 1 18 18 ARG N N 15 118.23 0.23 . 1 . . . . 18 ARG N . 6940 1 85 . 1 1 19 19 MET H H 1 7.945 0.01 . 1 . . . . 19 MET H . 6940 1 86 . 1 1 19 19 MET CA C 13 57.60 0.12 . 1 . . . . 19 MET CA . 6940 1 87 . 1 1 19 19 MET CB C 13 30.47 0.23 . 1 . . . . 19 MET CB . 6940 1 88 . 1 1 19 19 MET N N 15 120.45 0.23 . 1 . . . . 19 MET N . 6940 1 89 . 1 1 20 20 GLU H H 1 7.837 0.01 . 1 . . . . 20 GLU H . 6940 1 90 . 1 1 20 20 GLU C C 13 177.47 0.09 . 1 . . . . 20 GLU CO . 6940 1 91 . 1 1 20 20 GLU CA C 13 56.21 0.12 . 1 . . . . 20 GLU CA . 6940 1 92 . 1 1 20 20 GLU CB C 13 28.69 0.23 . 1 . . . . 20 GLU CB . 6940 1 93 . 1 1 20 20 GLU N N 15 116.68 0.23 . 1 . . . . 20 GLU N . 6940 1 94 . 1 1 21 21 GLY H H 1 7.908 0.01 . 1 . . . . 21 GLY H . 6940 1 95 . 1 1 21 21 GLY C C 13 176.43 0.09 . 1 . . . . 21 GLY CO . 6940 1 96 . 1 1 21 21 GLY CA C 13 45.48 0.12 . 1 . . . . 21 GLY CA . 6940 1 97 . 1 1 21 21 GLY N N 15 107.82 0.23 . 1 . . . . 21 GLY N . 6940 1 98 . 1 1 22 22 LYS H H 1 7.513 0.01 . 1 . . . . 22 LYS H . 6940 1 99 . 1 1 22 22 LYS C C 13 176.74 0.09 . 1 . . . . 22 LYS CO . 6940 1 100 . 1 1 22 22 LYS CA C 13 54.56 0.12 . 1 . . . . 22 LYS CA . 6940 1 101 . 1 1 22 22 LYS CB C 13 31.53 0.23 . 1 . . . . 22 LYS CB . 6940 1 102 . 1 1 22 22 LYS N N 15 118.33 0.23 . 1 . . . . 22 LYS N . 6940 1 103 . 1 1 23 23 ARG H H 1 9.616 0.01 . 1 . . . . 23 ARG H . 6940 1 104 . 1 1 23 23 ARG C C 13 177.38 0.09 . 1 . . . . 23 ARG CO . 6940 1 105 . 1 1 23 23 ARG CA C 13 55.09 0.12 . 1 . . . . 23 ARG CA . 6940 1 106 . 1 1 23 23 ARG CB C 13 29.62 0.23 . 1 . . . . 23 ARG CB . 6940 1 107 . 1 1 23 23 ARG N N 15 123.43 0.23 . 1 . . . . 23 ARG N . 6940 1 108 . 1 1 24 24 VAL H H 1 9.514 0.01 . 1 . . . . 24 VAL H . 6940 1 109 . 1 1 24 24 VAL C C 13 176.57 0.09 . 1 . . . . 24 VAL CO . 6940 1 110 . 1 1 24 24 VAL CA C 13 60.93 0.12 . 1 . . . . 24 VAL CA . 6940 1 111 . 1 1 24 24 VAL CB C 13 33.68 0.23 . 1 . . . . 24 VAL CB . 6940 1 112 . 1 1 24 24 VAL N N 15 126.93 0.23 . 1 . . . . 24 VAL N . 6940 1 113 . 1 1 25 25 ALA H H 1 9.011 0.01 . 1 . . . . 25 ALA H . 6940 1 114 . 1 1 25 25 ALA C C 13 176.37 0.09 . 1 . . . . 25 ALA CO . 6940 1 115 . 1 1 25 25 ALA CA C 13 48.45 0.12 . 1 . . . . 25 ALA CA . 6940 1 116 . 1 1 25 25 ALA CB C 13 21.68 0.23 . 1 . . . . 25 ALA CB . 6940 1 117 . 1 1 25 25 ALA N N 15 128.38 0.23 . 1 . . . . 25 ALA N . 6940 1 118 . 1 1 26 26 LEU H H 1 8.584 0.01 . 1 . . . . 26 LEU H . 6940 1 119 . 1 1 26 26 LEU C C 13 176.40 0.09 . 1 . . . . 26 LEU CO . 6940 1 120 . 1 1 26 26 LEU CA C 13 51.97 0.12 . 1 . . . . 26 LEU CA . 6940 1 121 . 1 1 26 26 LEU CB C 13 44.78 0.23 . 1 . . . . 26 LEU CB . 6940 1 122 . 1 1 26 26 LEU N N 15 120.67 0.23 . 1 . . . . 26 LEU N . 6940 1 123 . 1 1 27 27 VAL H H 1 8.819 0.01 . 1 . . . . 27 VAL H . 6940 1 124 . 1 1 27 27 VAL CA C 13 58.54 0.12 . 1 . . . . 27 VAL CA . 6940 1 125 . 1 1 27 27 VAL CB C 13 32.08 0.23 . 1 . . . . 27 VAL CB . 6940 1 126 . 1 1 27 27 VAL N N 15 126.08 0.23 . 1 . . . . 27 VAL N . 6940 1 127 . 1 1 28 28 PRO C C 13 177.71 0.09 . 1 . . . . 28 PRO CO . 6940 1 128 . 1 1 28 28 PRO CA C 13 61.00 0.12 . 1 . . . . 28 PRO CA . 6940 1 129 . 1 1 28 28 PRO CB C 13 29.78 0.27 . 1 . . . . 28 PRO CB . 6940 1 130 . 1 1 29 29 THR H H 1 8.132 0.01 . 1 . . . . 29 THR H . 6940 1 131 . 1 1 29 29 THR CA C 13 60.23 0.12 . 1 . . . . 29 THR CA . 6940 1 132 . 1 1 29 29 THR CB C 13 71.72 0.23 . 1 . . . . 29 THR CB . 6940 1 133 . 1 1 29 29 THR N N 15 115.62 0.23 . 1 . . . . 29 THR N . 6940 1 134 . 1 1 30 30 MET C C 13 176.57 0.09 . 1 . . . . 30 MET CO . 6940 1 135 . 1 1 30 30 MET CA C 13 54.32 0.12 . 1 . . . . 30 MET CA . 6940 1 136 . 1 1 30 30 MET CB C 13 31.87 0.27 . 1 . . . . 30 MET CB . 6940 1 137 . 1 1 31 31 GLY H H 1 7.732 0.01 . 1 . . . . 31 GLY H . 6940 1 138 . 1 1 31 31 GLY C C 13 175.01 0.09 . 1 . . . . 31 GLY CO . 6940 1 139 . 1 1 31 31 GLY CA C 13 45.23 0.12 . 1 . . . . 31 GLY CA . 6940 1 140 . 1 1 31 31 GLY N N 15 102.84 0.23 . 1 . . . . 31 GLY N . 6940 1 141 . 1 1 32 32 ASN H H 1 9.981 0.01 . 1 . . . . 32 ASN H . 6940 1 142 . 1 1 32 32 ASN C C 13 176.82 0.09 . 1 . . . . 32 ASN CO . 6940 1 143 . 1 1 32 32 ASN CA C 13 52.81 0.12 . 1 . . . . 32 ASN CA . 6940 1 144 . 1 1 32 32 ASN CB C 13 35.50 0.23 . 1 . . . . 32 ASN CB . 6940 1 145 . 1 1 32 32 ASN N N 15 123.91 0.23 . 1 . . . . 32 ASN N . 6940 1 146 . 1 1 33 33 LEU H H 1 8.121 0.01 . 1 . . . . 33 LEU H . 6940 1 147 . 1 1 33 33 LEU C C 13 177.88 0.09 . 1 . . . . 33 LEU CO . 6940 1 148 . 1 1 33 33 LEU CA C 13 53.39 0.12 . 1 . . . . 33 LEU CA . 6940 1 149 . 1 1 33 33 LEU CB C 13 40.54 0.23 . 1 . . . . 33 LEU CB . 6940 1 150 . 1 1 33 33 LEU N N 15 116.17 0.23 . 1 . . . . 33 LEU N . 6940 1 151 . 1 1 34 34 HIS H H 1 10.525 0.01 . 1 . . . . 34 HIS H . 6940 1 152 . 1 1 34 34 HIS CA C 13 53.58 0.12 . 1 . . . . 34 HIS CA . 6940 1 153 . 1 1 34 34 HIS CB C 13 31.47 0.23 . 1 . . . . 34 HIS CB . 6940 1 154 . 1 1 34 34 HIS N N 15 123.78 0.23 . 1 . . . . 34 HIS N . 6940 1 155 . 1 1 36 36 GLY C C 13 177.62 0.09 . 1 . . . . 36 GLY CO . 6940 1 156 . 1 1 36 36 GLY CA C 13 46.54 0.12 . 1 . . . . 36 GLY CA . 6940 1 157 . 1 1 37 37 HIS H H 1 7.462 0.01 . 1 . . . . 37 HIS H . 6940 1 158 . 1 1 37 37 HIS C C 13 178.06 0.09 . 1 . . . . 37 HIS CO . 6940 1 159 . 1 1 37 37 HIS CA C 13 60.51 0.12 . 1 . . . . 37 HIS CA . 6940 1 160 . 1 1 37 37 HIS CB C 13 30.06 0.23 . 1 . . . . 37 HIS CB . 6940 1 161 . 1 1 37 37 HIS N N 15 120.05 0.23 . 1 . . . . 37 HIS N . 6940 1 162 . 1 1 38 38 MET H H 1 7.808 0.01 . 1 . . . . 38 MET H . 6940 1 163 . 1 1 38 38 MET C C 13 178.00 0.09 . 1 . . . . 38 MET CO . 6940 1 164 . 1 1 38 38 MET CA C 13 55.84 0.12 . 1 . . . . 38 MET CA . 6940 1 165 . 1 1 38 38 MET CB C 13 29.46 0.23 . 1 . . . . 38 MET CB . 6940 1 166 . 1 1 38 38 MET N N 15 116.38 0.23 . 1 . . . . 38 MET N . 6940 1 167 . 1 1 39 39 LYS H H 1 7.463 0.01 . 1 . . . . 39 LYS H . 6940 1 168 . 1 1 39 39 LYS C C 13 178.68 0.09 . 1 . . . . 39 LYS CO . 6940 1 169 . 1 1 39 39 LYS CA C 13 58.59 0.12 . 1 . . . . 39 LYS CA . 6940 1 170 . 1 1 39 39 LYS CB C 13 30.24 0.23 . 1 . . . . 39 LYS CB . 6940 1 171 . 1 1 39 39 LYS N N 15 118.29 0.23 . 1 . . . . 39 LYS N . 6940 1 172 . 1 1 40 40 LEU H H 1 7.245 0.01 . 1 . . . . 40 LEU H . 6940 1 173 . 1 1 40 40 LEU C C 13 178.21 0.09 . 1 . . . . 40 LEU CO . 6940 1 174 . 1 1 40 40 LEU CA C 13 57.59 0.12 . 1 . . . . 40 LEU CA . 6940 1 175 . 1 1 40 40 LEU CB C 13 40.29 0.23 . 1 . . . . 40 LEU CB . 6940 1 176 . 1 1 40 40 LEU N N 15 116.96 0.23 . 1 . . . . 40 LEU N . 6940 1 177 . 1 1 41 41 VAL H H 1 7.409 0.01 . 1 . . . . 41 VAL H . 6940 1 178 . 1 1 41 41 VAL C C 13 177.44 0.09 . 1 . . . . 41 VAL CO . 6940 1 179 . 1 1 41 41 VAL CA C 13 66.05 0.12 . 1 . . . . 41 VAL CA . 6940 1 180 . 1 1 41 41 VAL CB C 13 29.48 0.23 . 1 . . . . 41 VAL CB . 6940 1 181 . 1 1 41 41 VAL N N 15 117.71 0.23 . 1 . . . . 41 VAL N . 6940 1 182 . 1 1 42 42 ASP H H 1 8.234 0.01 . 1 . . . . 42 ASP H . 6940 1 183 . 1 1 42 42 ASP C C 13 178.66 0.09 . 1 . . . . 42 ASP CO . 6940 1 184 . 1 1 42 42 ASP CA C 13 56.99 0.12 . 1 . . . . 42 ASP CA . 6940 1 185 . 1 1 42 42 ASP CB C 13 38.22 0.23 . 1 . . . . 42 ASP CB . 6940 1 186 . 1 1 42 42 ASP N N 15 120.14 0.23 . 1 . . . . 42 ASP N . 6940 1 187 . 1 1 43 43 GLU H H 1 7.794 0.01 . 1 . . . . 43 GLU H . 6940 1 188 . 1 1 43 43 GLU C C 13 178.01 0.09 . 1 . . . . 43 GLU CO . 6940 1 189 . 1 1 43 43 GLU CA C 13 58.03 0.12 . 1 . . . . 43 GLU CA . 6940 1 190 . 1 1 43 43 GLU CB C 13 27.30 0.23 . 1 . . . . 43 GLU CB . 6940 1 191 . 1 1 43 43 GLU N N 15 120.74 0.23 . 1 . . . . 43 GLU N . 6940 1 192 . 1 1 44 44 ALA H H 1 8.000 0.01 . 1 . . . . 44 ALA H . 6940 1 193 . 1 1 44 44 ALA C C 13 178.37 0.09 . 1 . . . . 44 ALA CO . 6940 1 194 . 1 1 44 44 ALA CA C 13 54.93 0.12 . 1 . . . . 44 ALA CA . 6940 1 195 . 1 1 44 44 ALA CB C 13 17.34 0.23 . 1 . . . . 44 ALA CB . 6940 1 196 . 1 1 44 44 ALA N N 15 121.59 0.23 . 1 . . . . 44 ALA N . 6940 1 197 . 1 1 45 45 LYS H H 1 8.371 0.01 . 1 . . . . 45 LYS H . 6940 1 198 . 1 1 45 45 LYS C C 13 177.87 0.09 . 1 . . . . 45 LYS CO . 6940 1 199 . 1 1 45 45 LYS CA C 13 56.92 0.12 . 1 . . . . 45 LYS CA . 6940 1 200 . 1 1 45 45 LYS CB C 13 30.28 0.23 . 1 . . . . 45 LYS CB . 6940 1 201 . 1 1 45 45 LYS N N 15 115.51 0.12 . 1 . . . . 45 LYS N . 6940 1 202 . 1 1 46 46 ALA H H 1 7.305 0.01 . 1 . . . . 46 ALA H . 6940 1 203 . 1 1 46 46 ALA C C 13 178.48 0.09 . 1 . . . . 46 ALA CO . 6940 1 204 . 1 1 46 46 ALA CA C 13 52.70 0.12 . 1 . . . . 46 ALA CA . 6940 1 205 . 1 1 46 46 ALA CB C 13 17.05 0.23 . 1 . . . . 46 ALA CB . 6940 1 206 . 1 1 46 46 ALA N N 15 117.81 0.23 . 1 . . . . 46 ALA N . 6940 1 207 . 1 1 47 47 ARG H H 1 7.302 0.01 . 1 . . . . 47 ARG H . 6940 1 208 . 1 1 47 47 ARG C C 13 176.27 0.09 . 1 . . . . 47 ARG CO . 6940 1 209 . 1 1 47 47 ARG CA C 13 55.18 0.12 . 1 . . . . 47 ARG CA . 6940 1 210 . 1 1 47 47 ARG CB C 13 31.36 0.23 . 1 . . . . 47 ARG CB . 6940 1 211 . 1 1 47 47 ARG N N 15 114.80 0.23 . 1 . . . . 47 ARG N . 6940 1 212 . 1 1 48 48 ALA H H 1 7.631 0.01 . 1 . . . . 48 ALA H . 6940 1 213 . 1 1 48 48 ALA C C 13 176.13 0.09 . 1 . . . . 48 ALA CO . 6940 1 214 . 1 1 48 48 ALA CA C 13 50.28 0.12 . 1 . . . . 48 ALA CA . 6940 1 215 . 1 1 48 48 ALA CB C 13 21.00 0.23 . 1 . . . . 48 ALA CB . 6940 1 216 . 1 1 48 48 ALA N N 15 121.19 0.23 . 1 . . . . 48 ALA N . 6940 1 217 . 1 1 49 49 ASP H H 1 7.528 0.01 . 1 . . . . 49 ASP H . 6940 1 218 . 1 1 49 49 ASP C C 13 176.96 0.09 . 1 . . . . 49 ASP CO . 6940 1 219 . 1 1 49 49 ASP CA C 13 56.13 0.12 . 1 . . . . 49 ASP CA . 6940 1 220 . 1 1 49 49 ASP CB C 13 42.15 0.23 . 1 . . . . 49 ASP CB . 6940 1 221 . 1 1 49 49 ASP N N 15 115.59 0.23 . 1 . . . . 49 ASP N . 6940 1 222 . 1 1 50 50 VAL H H 1 8.058 0.01 . 1 . . . . 50 VAL H . 6940 1 223 . 1 1 50 50 VAL C C 13 175.73 0.09 . 1 . . . . 50 VAL CO . 6940 1 224 . 1 1 50 50 VAL CA C 13 59.48 0.12 . 1 . . . . 50 VAL CA . 6940 1 225 . 1 1 50 50 VAL CB C 13 34.03 0.23 . 1 . . . . 50 VAL CB . 6940 1 226 . 1 1 50 50 VAL N N 15 117.93 0.23 . 1 . . . . 50 VAL N . 6940 1 227 . 1 1 51 51 VAL H H 1 9.848 0.01 . 1 . . . . 51 VAL H . 6940 1 228 . 1 1 51 51 VAL C C 13 175.54 0.09 . 1 . . . . 51 VAL CO . 6940 1 229 . 1 1 51 51 VAL CA C 13 60.88 0.12 . 1 . . . . 51 VAL CA . 6940 1 230 . 1 1 51 51 VAL CB C 13 32.67 0.23 . 1 . . . . 51 VAL CB . 6940 1 231 . 1 1 51 51 VAL N N 15 125.97 0.23 . 1 . . . . 51 VAL N . 6940 1 232 . 1 1 52 52 ALA H H 1 9.147 0.01 . 1 . . . . 52 ALA H . 6940 1 233 . 1 1 52 52 ALA C C 13 176.68 0.09 . 1 . . . . 52 ALA CO . 6940 1 234 . 1 1 52 52 ALA CA C 13 47.99 0.12 . 1 . . . . 52 ALA CA . 6940 1 235 . 1 1 52 52 ALA CB C 13 18.79 0.23 . 1 . . . . 52 ALA CB . 6940 1 236 . 1 1 52 52 ALA N N 15 129.22 0.23 . 1 . . . . 52 ALA N . 6940 1 237 . 1 1 53 53 VAL H H 1 8.730 0.01 . 1 . . . . 53 VAL H . 6940 1 238 . 1 1 53 53 VAL C C 13 176.83 0.09 . 1 . . . . 53 VAL CO . 6940 1 239 . 1 1 53 53 VAL CA C 13 59.48 0.12 . 1 . . . . 53 VAL CA . 6940 1 240 . 1 1 53 53 VAL CB C 13 33.08 0.23 . 1 . . . . 53 VAL CB . 6940 1 241 . 1 1 53 53 VAL N N 15 122.63 0.23 . 1 . . . . 53 VAL N . 6940 1 242 . 1 1 54 54 SER H H 1 8.335 0.01 . 1 . . . . 54 SER H . 6940 1 243 . 1 1 54 54 SER C C 13 176.23 0.09 . 1 . . . . 54 SER CO . 6940 1 244 . 1 1 54 54 SER CA C 13 55.71 0.12 . 1 . . . . 54 SER CA . 6940 1 245 . 1 1 54 54 SER CB C 13 64.56 0.23 . 1 . . . . 54 SER CB . 6940 1 246 . 1 1 54 54 SER N N 15 120.09 0.23 . 1 . . . . 54 SER N . 6940 1 247 . 1 1 55 55 ILE H H 1 8.985 0.01 . 1 . . . . 55 ILE H . 6940 1 248 . 1 1 55 55 ILE C C 13 176.13 0.09 . 1 . . . . 55 ILE CO . 6940 1 249 . 1 1 55 55 ILE CA C 13 60.94 0.12 . 1 . . . . 55 ILE CA . 6940 1 250 . 1 1 55 55 ILE CB C 13 38.79 0.23 . 1 . . . . 55 ILE CB . 6940 1 251 . 1 1 55 55 ILE N N 15 125.07 0.23 . 1 . . . . 55 ILE N . 6940 1 252 . 1 1 56 56 PHE H H 1 7.967 0.01 . 1 . . . . 56 PHE H . 6940 1 253 . 1 1 56 56 PHE C C 13 175.40 0.09 . 1 . . . . 56 PHE CO . 6940 1 254 . 1 1 56 56 PHE CA C 13 57.23 0.12 . 1 . . . . 56 PHE CA . 6940 1 255 . 1 1 56 56 PHE CB C 13 37.76 0.23 . 1 . . . . 56 PHE CB . 6940 1 256 . 1 1 56 56 PHE N N 15 124.66 0.23 . 1 . . . . 56 PHE N . 6940 1 257 . 1 1 57 57 VAL H H 1 8.522 0.01 . 1 . . . . 57 VAL H . 6940 1 258 . 1 1 57 57 VAL C C 13 175.79 0.09 . 1 . . . . 57 VAL CO . 6940 1 259 . 1 1 57 57 VAL CA C 13 61.64 0.12 . 1 . . . . 57 VAL CA . 6940 1 260 . 1 1 57 57 VAL CB C 13 28.04 0.23 . 1 . . . . 57 VAL CB . 6940 1 261 . 1 1 57 57 VAL N N 15 131.76 0.23 . 1 . . . . 57 VAL N . 6940 1 262 . 1 1 58 58 ASN H H 1 6.617 0.01 . 1 . . . . 58 ASN H . 6940 1 263 . 1 1 58 58 ASN CA C 13 49.72 0.12 . 1 . . . . 58 ASN CA . 6940 1 264 . 1 1 58 58 ASN CB C 13 38.28 0.23 . 1 . . . . 58 ASN CB . 6940 1 265 . 1 1 58 58 ASN N N 15 124.24 0.23 . 1 . . . . 58 ASN N . 6940 1 266 . 1 1 59 59 PRO C C 13 177.62 0.09 . 1 . . . . 59 PRO CO . 6940 1 267 . 1 1 59 59 PRO CA C 13 64.30 0.12 . 1 . . . . 59 PRO CA . 6940 1 268 . 1 1 59 59 PRO CB C 13 30.90 0.27 . 1 . . . . 59 PRO CB . 6940 1 269 . 1 1 60 60 MET H H 1 6.487 0.01 . 1 . . . . 60 MET H . 6940 1 270 . 1 1 60 60 MET C C 13 176.78 0.09 . 1 . . . . 60 MET CO . 6940 1 271 . 1 1 60 60 MET CA C 13 56.92 0.12 . 1 . . . . 60 MET CA . 6940 1 272 . 1 1 60 60 MET CB C 13 33.20 0.23 . 1 . . . . 60 MET CB . 6940 1 273 . 1 1 60 60 MET N N 15 110.47 0.23 . 1 . . . . 60 MET N . 6940 1 274 . 1 1 61 61 GLN H H 1 7.370 0.01 . 1 . . . . 61 GLN H . 6940 1 275 . 1 1 61 61 GLN C C 13 175.52 0.09 . 1 . . . . 61 GLN CO . 6940 1 276 . 1 1 61 61 GLN CA C 13 54.29 0.12 . 1 . . . . 61 GLN CA . 6940 1 277 . 1 1 61 61 GLN CB C 13 29.22 0.23 . 1 . . . . 61 GLN CB . 6940 1 278 . 1 1 61 61 GLN N N 15 111.96 0.23 . 1 . . . . 61 GLN N . 6940 1 279 . 1 1 62 62 PHE H H 1 7.218 0.01 . 1 . . . . 62 PHE H . 6940 1 280 . 1 1 62 62 PHE C C 13 176.31 0.09 . 1 . . . . 62 PHE CO . 6940 1 281 . 1 1 62 62 PHE CA C 13 56.77 0.12 . 1 . . . . 62 PHE CA . 6940 1 282 . 1 1 62 62 PHE CB C 13 39.31 0.23 . 1 . . . . 62 PHE CB . 6940 1 283 . 1 1 62 62 PHE N N 15 118.77 0.23 . 1 . . . . 62 PHE N . 6940 1 284 . 1 1 63 63 ASP H H 1 8.797 0.01 . 1 . . . . 63 ASP H . 6940 1 285 . 1 1 63 63 ASP C C 13 176.99 0.09 . 1 . . . . 63 ASP CO . 6940 1 286 . 1 1 63 63 ASP CA C 13 54.96 0.12 . 1 . . . . 63 ASP CA . 6940 1 287 . 1 1 63 63 ASP CB C 13 39.98 0.23 . 1 . . . . 63 ASP CB . 6940 1 288 . 1 1 63 63 ASP N N 15 121.75 0.23 . 1 . . . . 63 ASP N . 6940 1 289 . 1 1 64 64 ARG H H 1 7.955 0.01 . 1 . . . . 64 ARG H . 6940 1 290 . 1 1 64 64 ARG CA C 13 52.21 0.12 . 1 . . . . 64 ARG CA . 6940 1 291 . 1 1 64 64 ARG CB C 13 29.17 0.23 . 1 . . . . 64 ARG CB . 6940 1 292 . 1 1 64 64 ARG N N 15 117.12 0.23 . 1 . . . . 64 ARG N . 6940 1 293 . 1 1 65 65 PRO C C 13 178.69 0.09 . 1 . . . . 65 PRO CO . 6940 1 294 . 1 1 65 65 PRO CA C 13 64.34 0.12 . 1 . . . . 65 PRO CA . 6940 1 295 . 1 1 65 65 PRO CB C 13 30.08 0.27 . 1 . . . . 65 PRO CB . 6940 1 296 . 1 1 66 66 GLU H H 1 9.785 0.01 . 1 . . . . 66 GLU H . 6940 1 297 . 1 1 66 66 GLU C C 13 178.07 0.09 . 1 . . . . 66 GLU CO . 6940 1 298 . 1 1 66 66 GLU CA C 13 58.84 0.12 . 1 . . . . 66 GLU CA . 6940 1 299 . 1 1 66 66 GLU CB C 13 26.85 0.23 . 1 . . . . 66 GLU CB . 6940 1 300 . 1 1 66 66 GLU N N 15 118.62 0.23 . 1 . . . . 66 GLU N . 6940 1 301 . 1 1 67 67 ASP H H 1 7.356 0.01 . 1 . . . . 67 ASP H . 6940 1 302 . 1 1 67 67 ASP C C 13 178.02 0.09 . 1 . . . . 67 ASP CO . 6940 1 303 . 1 1 67 67 ASP CA C 13 56.10 0.12 . 1 . . . . 67 ASP CA . 6940 1 304 . 1 1 67 67 ASP CB C 13 39.32 0.23 . 1 . . . . 67 ASP CB . 6940 1 305 . 1 1 67 67 ASP N N 15 118.98 0.23 . 1 . . . . 67 ASP N . 6940 1 306 . 1 1 68 68 LEU H H 1 6.847 0.01 . 1 . . . . 68 LEU H . 6940 1 307 . 1 1 68 68 LEU C C 13 178.24 0.09 . 1 . . . . 68 LEU CO . 6940 1 308 . 1 1 68 68 LEU CA C 13 56.51 0.12 . 1 . . . . 68 LEU CA . 6940 1 309 . 1 1 68 68 LEU CB C 13 39.38 0.23 . 1 . . . . 68 LEU CB . 6940 1 310 . 1 1 68 68 LEU N N 15 121.13 0.23 . 1 . . . . 68 LEU N . 6940 1 311 . 1 1 69 69 ALA H H 1 7.701 0.01 . 1 . . . . 69 ALA H . 6940 1 312 . 1 1 69 69 ALA C C 13 178.23 0.09 . 1 . . . . 69 ALA CO . 6940 1 313 . 1 1 69 69 ALA CA C 13 53.63 0.12 . 1 . . . . 69 ALA CA . 6940 1 314 . 1 1 69 69 ALA CB C 13 16.70 0.23 . 1 . . . . 69 ALA CB . 6940 1 315 . 1 1 69 69 ALA N N 15 119.75 0.23 . 1 . . . . 69 ALA N . 6940 1 316 . 1 1 70 70 ARG H H 1 7.152 0.01 . 1 . . . . 70 ARG H . 6940 1 317 . 1 1 70 70 ARG C C 13 176.81 0.09 . 1 . . . . 70 ARG CO . 6940 1 318 . 1 1 70 70 ARG CA C 13 55.30 0.12 . 1 . . . . 70 ARG CA . 6940 1 319 . 1 1 70 70 ARG CB C 13 29.13 0.23 . 1 . . . . 70 ARG CB . 6940 1 320 . 1 1 70 70 ARG N N 15 113.46 0.23 . 1 . . . . 70 ARG N . 6940 1 321 . 1 1 71 71 TYR H H 1 7.175 0.01 . 1 . . . . 71 TYR H . 6940 1 322 . 1 1 71 71 TYR CA C 13 57.22 0.12 . 1 . . . . 71 TYR CA . 6940 1 323 . 1 1 71 71 TYR CB C 13 37.25 0.23 . 1 . . . . 71 TYR CB . 6940 1 324 . 1 1 71 71 TYR N N 15 125.05 0.23 . 1 . . . . 71 TYR N . 6940 1 325 . 1 1 72 72 PRO C C 13 176.65 0.09 . 1 . . . . 72 PRO CO . 6940 1 326 . 1 1 72 72 PRO CA C 13 63.26 0.12 . 1 . . . . 72 PRO CA . 6940 1 327 . 1 1 72 72 PRO CB C 13 30.66 0.27 . 1 . . . . 72 PRO CB . 6940 1 328 . 1 1 73 73 ARG H H 1 8.320 0.01 . 1 . . . . 73 ARG H . 6940 1 329 . 1 1 73 73 ARG C C 13 176.91 0.09 . 1 . . . . 73 ARG CO . 6940 1 330 . 1 1 73 73 ARG CA C 13 54.99 0.12 . 1 . . . . 73 ARG CA . 6940 1 331 . 1 1 73 73 ARG CB C 13 28.94 0.23 . 1 . . . . 73 ARG CB . 6940 1 332 . 1 1 73 73 ARG N N 15 122.54 0.23 . 1 . . . . 73 ARG N . 6940 1 333 . 1 1 74 74 THR H H 1 8.809 0.01 . 1 . . . . 74 THR H . 6940 1 334 . 1 1 74 74 THR C C 13 176.68 0.09 . 1 . . . . 74 THR CO . 6940 1 335 . 1 1 74 74 THR CA C 13 58.14 0.12 . 1 . . . . 74 THR CA . 6940 1 336 . 1 1 74 74 THR CB C 13 67.94 0.23 . 1 . . . . 74 THR CB . 6940 1 337 . 1 1 74 74 THR N N 15 118.71 0.23 . 1 . . . . 74 THR N . 6940 1 338 . 1 1 75 75 LEU H H 1 8.044 0.01 . 1 . . . . 75 LEU H . 6940 1 339 . 1 1 75 75 LEU C C 13 178.32 0.09 . 1 . . . . 75 LEU CO . 6940 1 340 . 1 1 75 75 LEU CA C 13 58.48 0.12 . 1 . . . . 75 LEU CA . 6940 1 341 . 1 1 75 75 LEU CB C 13 39.94 0.23 . 1 . . . . 75 LEU CB . 6940 1 342 . 1 1 75 75 LEU N N 15 124.33 0.23 . 1 . . . . 75 LEU N . 6940 1 343 . 1 1 76 76 GLN H H 1 8.638 0.01 . 1 . . . . 76 GLN H . 6940 1 344 . 1 1 76 76 GLN C C 13 178.42 0.09 . 1 . . . . 76 GLN CO . 6940 1 345 . 1 1 76 76 GLN CA C 13 59.33 0.12 . 1 . . . . 76 GLN CA . 6940 1 346 . 1 1 76 76 GLN CB C 13 26.06 0.23 . 1 . . . . 76 GLN CB . 6940 1 347 . 1 1 76 76 GLN N N 15 117.88 0.23 . 1 . . . . 76 GLN N . 6940 1 348 . 1 1 77 77 GLU H H 1 8.738 0.01 . 1 . . . . 77 GLU H . 6940 1 349 . 1 1 77 77 GLU C C 13 178.66 0.09 . 1 . . . . 77 GLU CO . 6940 1 350 . 1 1 77 77 GLU CA C 13 59.40 0.12 . 1 . . . . 77 GLU CA . 6940 1 351 . 1 1 77 77 GLU CB C 13 27.45 0.23 . 1 . . . . 77 GLU CB . 6940 1 352 . 1 1 77 77 GLU N N 15 121.32 0.23 . 1 . . . . 77 GLU N . 6940 1 353 . 1 1 78 78 ASP H H 1 8.804 0.01 . 1 . . . . 78 ASP H . 6940 1 354 . 1 1 78 78 ASP C C 13 178.32 0.09 . 1 . . . . 78 ASP CO . 6940 1 355 . 1 1 78 78 ASP CA C 13 57.56 0.12 . 1 . . . . 78 ASP CA . 6940 1 356 . 1 1 78 78 ASP CB C 13 39.53 0.23 . 1 . . . . 78 ASP CB . 6940 1 357 . 1 1 78 78 ASP N N 15 120.70 0.23 . 1 . . . . 78 ASP N . 6940 1 358 . 1 1 79 79 CYS H H 1 8.556 0.01 . 1 . . . . 79 CYS H . 6940 1 359 . 1 1 79 79 CYS C C 13 177.19 0.09 . 1 . . . . 79 CYS CO . 6940 1 360 . 1 1 79 79 CYS CA C 13 64.61 0.12 . 1 . . . . 79 CYS CA . 6940 1 361 . 1 1 79 79 CYS CB C 13 25.29 0.23 . 1 . . . . 79 CYS CB . 6940 1 362 . 1 1 79 79 CYS N N 15 115.58 0.23 . 1 . . . . 79 CYS N . 6940 1 363 . 1 1 80 80 GLU H H 1 8.071 0.01 . 1 . . . . 80 GLU H . 6940 1 364 . 1 1 80 80 GLU C C 13 178.65 0.09 . 1 . . . . 80 GLU CO . 6940 1 365 . 1 1 80 80 GLU CA C 13 59.02 0.12 . 1 . . . . 80 GLU CA . 6940 1 366 . 1 1 80 80 GLU CB C 13 27.42 0.23 . 1 . . . . 80 GLU CB . 6940 1 367 . 1 1 80 80 GLU N N 15 121.68 0.23 . 1 . . . . 80 GLU N . 6940 1 368 . 1 1 81 81 LYS H H 1 7.651 0.01 . 1 . . . . 81 LYS H . 6940 1 369 . 1 1 81 81 LYS C C 13 178.92 0.09 . 1 . . . . 81 LYS CO . 6940 1 370 . 1 1 81 81 LYS CA C 13 59.43 0.12 . 1 . . . . 81 LYS CA . 6940 1 371 . 1 1 81 81 LYS CB C 13 31.07 0.23 . 1 . . . . 81 LYS CB . 6940 1 372 . 1 1 81 81 LYS N N 15 118.32 0.23 . 1 . . . . 81 LYS N . 6940 1 373 . 1 1 82 82 LEU H H 1 7.851 0.01 . 1 . . . . 82 LEU H . 6940 1 374 . 1 1 82 82 LEU C C 13 178.24 0.09 . 1 . . . . 82 LEU CO . 6940 1 375 . 1 1 82 82 LEU CA C 13 56.63 0.12 . 1 . . . . 82 LEU CA . 6940 1 376 . 1 1 82 82 LEU CB C 13 38.83 0.23 . 1 . . . . 82 LEU CB . 6940 1 377 . 1 1 82 82 LEU N N 15 117.79 0.23 . 1 . . . . 82 LEU N . 6940 1 378 . 1 1 83 83 ASN H H 1 8.718 0.01 . 1 . . . . 83 ASN H . 6940 1 379 . 1 1 83 83 ASN C C 13 178.96 0.09 . 1 . . . . 83 ASN CO . 6940 1 380 . 1 1 83 83 ASN CA C 13 56.14 0.12 . 1 . . . . 83 ASN CA . 6940 1 381 . 1 1 83 83 ASN CB C 13 37.54 0.23 . 1 . . . . 83 ASN CB . 6940 1 382 . 1 1 83 83 ASN N N 15 120.07 0.23 . 1 . . . . 83 ASN N . 6940 1 383 . 1 1 84 84 LYS H H 1 7.650 0.01 . 1 . . . . 84 LYS H . 6940 1 384 . 1 1 84 84 LYS C C 13 177.65 0.09 . 1 . . . . 84 LYS CO . 6940 1 385 . 1 1 84 84 LYS CA C 13 58.22 0.12 . 1 . . . . 84 LYS CA . 6940 1 386 . 1 1 84 84 LYS CB C 13 30.56 0.23 . 1 . . . . 84 LYS CB . 6940 1 387 . 1 1 84 84 LYS N N 15 119.29 0.23 . 1 . . . . 84 LYS N . 6940 1 388 . 1 1 85 85 ARG H H 1 7.140 0.01 . 1 . . . . 85 ARG H . 6940 1 389 . 1 1 85 85 ARG C C 13 176.50 0.09 . 1 . . . . 85 ARG CO . 6940 1 390 . 1 1 85 85 ARG CA C 13 53.73 0.12 . 1 . . . . 85 ARG CA . 6940 1 391 . 1 1 85 85 ARG CB C 13 30.24 0.23 . 1 . . . . 85 ARG CB . 6940 1 392 . 1 1 85 85 ARG N N 15 117.96 0.23 . 1 . . . . 85 ARG N . 6940 1 393 . 1 1 86 86 LYS H H 1 7.880 0.01 . 1 . . . . 86 LYS H . 6940 1 394 . 1 1 86 86 LYS C C 13 177.23 0.09 . 1 . . . . 86 LYS CO . 6940 1 395 . 1 1 86 86 LYS CA C 13 56.00 0.12 . 1 . . . . 86 LYS CA . 6940 1 396 . 1 1 86 86 LYS CB C 13 26.63 0.23 . 1 . . . . 86 LYS CB . 6940 1 397 . 1 1 86 86 LYS N N 15 113.23 0.23 . 1 . . . . 86 LYS N . 6940 1 398 . 1 1 87 87 VAL H H 1 7.270 0.01 . 1 . . . . 87 VAL H . 6940 1 399 . 1 1 87 87 VAL C C 13 176.60 0.09 . 1 . . . . 87 VAL CO . 6940 1 400 . 1 1 87 87 VAL CA C 13 63.89 0.12 . 1 . . . . 87 VAL CA . 6940 1 401 . 1 1 87 87 VAL CB C 13 30.45 0.23 . 1 . . . . 87 VAL CB . 6940 1 402 . 1 1 87 87 VAL N N 15 119.00 0.23 . 1 . . . . 87 VAL N . 6940 1 403 . 1 1 88 88 ASP H H 1 7.574 0.01 . 1 . . . . 88 ASP H . 6940 1 404 . 1 1 88 88 ASP C C 13 177.42 0.09 . 1 . . . . 88 ASP CO . 6940 1 405 . 1 1 88 88 ASP CA C 13 57.13 0.12 . 1 . . . . 88 ASP CA . 6940 1 406 . 1 1 88 88 ASP CB C 13 42.26 0.23 . 1 . . . . 88 ASP CB . 6940 1 407 . 1 1 88 88 ASP N N 15 123.21 0.23 . 1 . . . . 88 ASP N . 6940 1 408 . 1 1 89 89 LEU H H 1 7.918 0.01 . 1 . . . . 89 LEU H . 6940 1 409 . 1 1 89 89 LEU C C 13 175.62 0.09 . 1 . . . . 89 LEU CO . 6940 1 410 . 1 1 89 89 LEU CA C 13 53.95 0.12 . 1 . . . . 89 LEU CA . 6940 1 411 . 1 1 89 89 LEU CB C 13 44.12 0.23 . 1 . . . . 89 LEU CB . 6940 1 412 . 1 1 89 89 LEU N N 15 119.77 0.23 . 1 . . . . 89 LEU N . 6940 1 413 . 1 1 90 90 VAL H H 1 9.084 0.01 . 1 . . . . 90 VAL H . 6940 1 414 . 1 1 90 90 VAL C C 13 175.86 0.09 . 1 . . . . 90 VAL CO . 6940 1 415 . 1 1 90 90 VAL CA C 13 59.63 0.12 . 1 . . . . 90 VAL CA . 6940 1 416 . 1 1 90 90 VAL CB C 13 32.83 0.23 . 1 . . . . 90 VAL CB . 6940 1 417 . 1 1 90 90 VAL N N 15 124.14 0.23 . 1 . . . . 90 VAL N . 6940 1 418 . 1 1 91 91 PHE H H 1 8.911 0.01 . 1 . . . . 91 PHE H . 6940 1 419 . 1 1 91 91 PHE C C 13 175.11 0.09 . 1 . . . . 91 PHE CO . 6940 1 420 . 1 1 91 91 PHE CA C 13 52.64 0.12 . 1 . . . . 91 PHE CA . 6940 1 421 . 1 1 91 91 PHE CB C 13 38.85 0.23 . 1 . . . . 91 PHE CB . 6940 1 422 . 1 1 91 91 PHE N N 15 127.40 0.23 . 1 . . . . 91 PHE N . 6940 1 423 . 1 1 92 92 ALA H H 1 8.399 0.01 . 1 . . . . 92 ALA H . 6940 1 424 . 1 1 92 92 ALA CA C 13 48.11 0.12 . 1 . . . . 92 ALA CA . 6940 1 425 . 1 1 92 92 ALA CB C 13 17.46 0.23 . 1 . . . . 92 ALA CB . 6940 1 426 . 1 1 92 92 ALA N N 15 130.72 0.23 . 1 . . . . 92 ALA N . 6940 1 427 . 1 1 93 93 PRO C C 13 177.22 0.09 . 1 . . . . 93 PRO CO . 6940 1 428 . 1 1 93 93 PRO CA C 13 61.05 0.12 . 1 . . . . 93 PRO CA . 6940 1 429 . 1 1 93 93 PRO CB C 13 30.62 0.27 . 1 . . . . 93 PRO CB . 6940 1 430 . 1 1 94 94 SER H H 1 8.060 0.01 . 1 . . . . 94 SER H . 6940 1 431 . 1 1 94 94 SER C C 13 176.75 0.09 . 1 . . . . 94 SER CO . 6940 1 432 . 1 1 94 94 SER CA C 13 56.25 0.12 . 1 . . . . 94 SER CA . 6940 1 433 . 1 1 94 94 SER CB C 13 63.56 0.23 . 1 . . . . 94 SER CB . 6940 1 434 . 1 1 94 94 SER N N 15 114.27 0.23 . 1 . . . . 94 SER N . 6940 1 435 . 1 1 95 95 VAL H H 1 8.780 0.01 . 1 . . . . 95 VAL H . 6940 1 436 . 1 1 95 95 VAL C C 13 177.53 0.09 . 1 . . . . 95 VAL CO . 6940 1 437 . 1 1 95 95 VAL CA C 13 66.74 0.12 . 1 . . . . 95 VAL CA . 6940 1 438 . 1 1 95 95 VAL CB C 13 29.89 0.23 . 1 . . . . 95 VAL CB . 6940 1 439 . 1 1 95 95 VAL N N 15 120.77 0.23 . 1 . . . . 95 VAL N . 6940 1 440 . 1 1 96 96 LYS H H 1 8.003 0.01 . 1 . . . . 96 LYS H . 6940 1 441 . 1 1 96 96 LYS CA C 13 57.58 0.12 . 1 . . . . 96 LYS CA . 6940 1 442 . 1 1 96 96 LYS CB C 13 30.30 0.23 . 1 . . . . 96 LYS CB . 6940 1 443 . 1 1 96 96 LYS N N 15 118.33 0.23 . 1 . . . . 96 LYS N . 6940 1 444 . 1 1 97 97 GLU H H 1 7.384 0.01 . 1 . . . . 97 GLU H . 6940 1 445 . 1 1 97 97 GLU C C 13 176.91 0.09 . 1 . . . . 97 GLU CO . 6940 1 446 . 1 1 97 97 GLU CA C 13 55.72 0.12 . 1 . . . . 97 GLU CA . 6940 1 447 . 1 1 97 97 GLU CB C 13 28.73 0.23 . 1 . . . . 97 GLU CB . 6940 1 448 . 1 1 97 97 GLU N N 15 117.23 0.12 . 1 . . . . 97 GLU N . 6940 1 449 . 1 1 98 98 ILE H H 1 8.268 0.01 . 1 . . . . 98 ILE H . 6940 1 450 . 1 1 98 98 ILE C C 13 176.57 0.09 . 1 . . . . 98 ILE CO . 6940 1 451 . 1 1 98 98 ILE CA C 13 60.26 0.12 . 1 . . . . 98 ILE CA . 6940 1 452 . 1 1 98 98 ILE CB C 13 36.78 0.23 . 1 . . . . 98 ILE CB . 6940 1 453 . 1 1 98 98 ILE N N 15 123.46 0.23 . 1 . . . . 98 ILE N . 6940 1 454 . 1 1 99 99 TYR H H 1 8.332 0.01 . 1 . . . . 99 TYR H . 6940 1 455 . 1 1 99 99 TYR CA C 13 54.91 0.12 . 1 . . . . 99 TYR CA . 6940 1 456 . 1 1 99 99 TYR CB C 13 36.80 0.23 . 1 . . . . 99 TYR CB . 6940 1 457 . 1 1 99 99 TYR N N 15 125.82 0.23 . 1 . . . . 99 TYR N . 6940 1 458 . 1 1 101 101 ASN C C 13 176.87 0.09 . 1 . . . . 101 ASN CO . 6940 1 459 . 1 1 101 101 ASN CA C 13 51.28 0.12 . 1 . . . . 101 ASN CA . 6940 1 460 . 1 1 101 101 ASN CB C 13 38.56 0.27 . 1 . . . . 101 ASN CB . 6940 1 461 . 1 1 102 102 GLY H H 1 7.597 0.01 . 1 . . . . 102 GLY H . 6940 1 462 . 1 1 102 102 GLY CA C 13 43.71 0.12 . 1 . . . . 102 GLY CA . 6940 1 463 . 1 1 102 102 GLY N N 15 107.54 0.23 . 1 . . . . 102 GLY N . 6940 1 464 . 1 1 104 104 GLU C C 13 176.67 0.09 . 1 . . . . 104 GLU CO . 6940 1 465 . 1 1 104 104 GLU CA C 13 55.97 0.12 . 1 . . . . 104 GLU CA . 6940 1 466 . 1 1 104 104 GLU CB C 13 28.69 0.27 . 1 . . . . 104 GLU CB . 6940 1 467 . 1 1 105 105 THR H H 1 7.873 0.01 . 1 . . . . 105 THR H . 6940 1 468 . 1 1 105 105 THR CA C 13 62.61 0.12 . 1 . . . . 105 THR CA . 6940 1 469 . 1 1 105 105 THR CB C 13 69.39 0.23 . 1 . . . . 105 THR CB . 6940 1 470 . 1 1 105 105 THR N N 15 120.75 0.23 . 1 . . . . 105 THR N . 6940 1 471 . 1 1 106 106 HIS C C 13 175.85 0.09 . 1 . . . . 106 HIS CO . 6940 1 472 . 1 1 106 106 HIS CA C 13 57.56 0.12 . 1 . . . . 106 HIS CA . 6940 1 473 . 1 1 106 106 HIS CB C 13 29.05 0.27 . 1 . . . . 106 HIS CB . 6940 1 474 . 1 1 107 107 THR H H 1 7.786 0.01 . 1 . . . . 107 THR H . 6940 1 475 . 1 1 107 107 THR CA C 13 62.58 0.12 . 1 . . . . 107 THR CA . 6940 1 476 . 1 1 107 107 THR CB C 13 69.39 0.23 . 1 . . . . 107 THR CB . 6940 1 477 . 1 1 107 107 THR N N 15 120.70 0.23 . 1 . . . . 107 THR N . 6940 1 478 . 1 1 108 108 TYR C C 13 176.95 0.09 . 1 . . . . 108 TYR CO . 6940 1 479 . 1 1 108 108 TYR CA C 13 60.23 0.12 . 1 . . . . 108 TYR CA . 6940 1 480 . 1 1 108 108 TYR CB C 13 36.75 0.27 . 1 . . . . 108 TYR CB . 6940 1 481 . 1 1 109 109 VAL H H 1 8.202 0.01 . 1 . . . . 109 VAL H . 6940 1 482 . 1 1 109 109 VAL C C 13 176.57 0.09 . 1 . . . . 109 VAL CO . 6940 1 483 . 1 1 109 109 VAL CA C 13 61.66 0.12 . 1 . . . . 109 VAL CA . 6940 1 484 . 1 1 109 109 VAL CB C 13 31.03 0.23 . 1 . . . . 109 VAL CB . 6940 1 485 . 1 1 109 109 VAL N N 15 125.04 0.23 . 1 . . . . 109 VAL N . 6940 1 486 . 1 1 110 110 ASP H H 1 8.484 0.01 . 1 . . . . 110 ASP H . 6940 1 487 . 1 1 110 110 ASP C C 13 175.72 0.09 . 1 . . . . 110 ASP CO . 6940 1 488 . 1 1 110 110 ASP CA C 13 51.45 0.12 . 1 . . . . 110 ASP CA . 6940 1 489 . 1 1 110 110 ASP CB C 13 43.53 0.23 . 1 . . . . 110 ASP CB . 6940 1 490 . 1 1 110 110 ASP N N 15 126.78 0.23 . 1 . . . . 110 ASP N . 6940 1 491 . 1 1 111 111 VAL H H 1 8.570 0.01 . 1 . . . . 111 VAL H . 6940 1 492 . 1 1 111 111 VAL CA C 13 58.35 0.12 . 1 . . . . 111 VAL CA . 6940 1 493 . 1 1 111 111 VAL CB C 13 30.63 0.23 . 1 . . . . 111 VAL CB . 6940 1 494 . 1 1 111 111 VAL N N 15 123.01 0.23 . 1 . . . . 111 VAL N . 6940 1 495 . 1 1 112 112 PRO C C 13 177.20 0.09 . 1 . . . . 112 PRO CO . 6940 1 496 . 1 1 112 112 PRO CA C 13 62.16 0.12 . 1 . . . . 112 PRO CA . 6940 1 497 . 1 1 112 112 PRO CB C 13 30.91 0.27 . 1 . . . . 112 PRO CB . 6940 1 498 . 1 1 113 113 GLY H H 1 8.347 0.01 . 1 . . . . 113 GLY H . 6940 1 499 . 1 1 113 113 GLY C C 13 176.32 0.09 . 1 . . . . 113 GLY CO . 6940 1 500 . 1 1 113 113 GLY CA C 13 45.24 0.12 . 1 . . . . 113 GLY CA . 6940 1 501 . 1 1 113 113 GLY N N 15 105.27 0.23 . 1 . . . . 113 GLY N . 6940 1 502 . 1 1 114 114 LEU H H 1 8.092 0.01 . 1 . . . . 114 LEU H . 6940 1 503 . 1 1 114 114 LEU CA C 13 54.24 0.12 . 1 . . . . 114 LEU CA . 6940 1 504 . 1 1 114 114 LEU CB C 13 40.73 0.23 . 1 . . . . 114 LEU CB . 6940 1 505 . 1 1 114 114 LEU N N 15 120.85 0.23 . 1 . . . . 114 LEU N . 6940 1 506 . 1 1 115 115 SER H H 1 8.239 0.01 . 1 . . . . 115 SER H . 6940 1 507 . 1 1 115 115 SER C C 13 176.53 0.09 . 1 . . . . 115 SER CO . 6940 1 508 . 1 1 115 115 SER CA C 13 58.38 0.12 . 1 . . . . 115 SER CA . 6940 1 509 . 1 1 115 115 SER CB C 13 62.21 0.23 . 1 . . . . 115 SER CB . 6940 1 510 . 1 1 115 115 SER N N 15 114.58 0.23 . 1 . . . . 115 SER N . 6940 1 511 . 1 1 116 116 THR H H 1 7.989 0.01 . 1 . . . . 116 THR H . 6940 1 512 . 1 1 116 116 THR C C 13 176.30 0.09 . 1 . . . . 116 THR CO . 6940 1 513 . 1 1 116 116 THR CA C 13 61.48 0.12 . 1 . . . . 116 THR CA . 6940 1 514 . 1 1 116 116 THR CB C 13 67.85 0.23 . 1 . . . . 116 THR CB . 6940 1 515 . 1 1 116 116 THR N N 15 114.05 0.23 . 1 . . . . 116 THR N . 6940 1 516 . 1 1 117 117 MET H H 1 8.011 0.01 . 1 . . . . 117 MET H . 6940 1 517 . 1 1 117 117 MET C C 13 176.99 0.09 . 1 . . . . 117 MET CO . 6940 1 518 . 1 1 117 117 MET CA C 13 55.24 0.12 . 1 . . . . 117 MET CA . 6940 1 519 . 1 1 117 117 MET CB C 13 31.30 0.23 . 1 . . . . 117 MET CB . 6940 1 520 . 1 1 117 117 MET N N 15 121.06 0.23 . 1 . . . . 117 MET N . 6940 1 521 . 1 1 118 118 LEU H H 1 8.218 0.01 . 1 . . . . 118 LEU H . 6940 1 522 . 1 1 118 118 LEU C C 13 177.47 0.09 . 1 . . . . 118 LEU CO . 6940 1 523 . 1 1 118 118 LEU CA C 13 54.68 0.12 . 1 . . . . 118 LEU CA . 6940 1 524 . 1 1 118 118 LEU CB C 13 40.84 0.23 . 1 . . . . 118 LEU CB . 6940 1 525 . 1 1 118 118 LEU N N 15 122.11 0.23 . 1 . . . . 118 LEU N . 6940 1 526 . 1 1 119 119 GLU H H 1 8.483 0.01 . 1 . . . . 119 GLU H . 6940 1 527 . 1 1 119 119 GLU C C 13 177.46 0.09 . 1 . . . . 119 GLU CO . 6940 1 528 . 1 1 119 119 GLU CA C 13 56.49 0.12 . 1 . . . . 119 GLU CA . 6940 1 529 . 1 1 119 119 GLU CB C 13 27.97 0.23 . 1 . . . . 119 GLU CB . 6940 1 530 . 1 1 119 119 GLU N N 15 121.39 0.23 . 1 . . . . 119 GLU N . 6940 1 531 . 1 1 120 120 GLY H H 1 8.395 0.01 . 1 . . . . 120 GLY H . 6940 1 532 . 1 1 120 120 GLY C C 13 175.95 0.09 . 1 . . . . 120 GLY CO . 6940 1 533 . 1 1 120 120 GLY CA C 13 44.96 0.12 . 1 . . . . 120 GLY CA . 6940 1 534 . 1 1 120 120 GLY N N 15 108.74 0.23 . 1 . . . . 120 GLY N . 6940 1 535 . 1 1 121 121 ALA H H 1 7.975 0.01 . 1 . . . . 121 ALA H . 6940 1 536 . 1 1 121 121 ALA C C 13 177.64 0.09 . 1 . . . . 121 ALA CO . 6940 1 537 . 1 1 121 121 ALA CA C 13 51.62 0.12 . 1 . . . . 121 ALA CA . 6940 1 538 . 1 1 121 121 ALA CB C 13 18.07 0.23 . 1 . . . . 121 ALA CB . 6940 1 539 . 1 1 121 121 ALA N N 15 123.01 0.23 . 1 . . . . 121 ALA N . 6940 1 540 . 1 1 122 122 SER H H 1 8.230 0.01 . 1 . . . . 122 SER H . 6940 1 541 . 1 1 122 122 SER C C 13 176.07 0.09 . 1 . . . . 122 SER CO . 6940 1 542 . 1 1 122 122 SER CA C 13 57.91 0.12 . 1 . . . . 122 SER CA . 6940 1 543 . 1 1 122 122 SER CB C 13 62.21 0.23 . 1 . . . . 122 SER CB . 6940 1 544 . 1 1 122 122 SER N N 15 114.38 0.23 . 1 . . . . 122 SER N . 6940 1 545 . 1 1 123 123 ARG H H 1 8.227 0.01 . 1 . . . . 123 ARG H . 6940 1 546 . 1 1 123 123 ARG CA C 13 53.28 0.12 . 1 . . . . 123 ARG CA . 6940 1 547 . 1 1 123 123 ARG CB C 13 28.66 0.23 . 1 . . . . 123 ARG CB . 6940 1 548 . 1 1 123 123 ARG N N 15 123.31 0.23 . 1 . . . . 123 ARG N . 6940 1 549 . 1 1 124 124 PRO C C 13 177.14 0.09 . 1 . . . . 124 PRO CO . 6940 1 550 . 1 1 124 124 PRO CA C 13 61.63 0.12 . 1 . . . . 124 PRO CA . 6940 1 551 . 1 1 124 124 PRO CB C 13 31.02 0.27 . 1 . . . . 124 PRO CB . 6940 1 552 . 1 1 125 125 GLY H H 1 8.393 0.01 . 1 . . . . 125 GLY H . 6940 1 553 . 1 1 125 125 GLY C C 13 175.64 0.09 . 1 . . . . 125 GLY CO . 6940 1 554 . 1 1 125 125 GLY CA C 13 44.52 0.12 . 1 . . . . 125 GLY CA . 6940 1 555 . 1 1 125 125 GLY N N 15 112.80 0.23 . 1 . . . . 125 GLY N . 6940 1 556 . 1 1 126 126 HIS H H 1 7.907 0.01 . 1 . . . . 126 HIS H . 6940 1 557 . 1 1 126 126 HIS CA C 13 59.01 0.12 . 1 . . . . 126 HIS CA . 6940 1 558 . 1 1 126 126 HIS CB C 13 31.02 0.23 . 1 . . . . 126 HIS CB . 6940 1 559 . 1 1 126 126 HIS N N 15 120.93 0.23 . 1 . . . . 126 HIS N . 6940 1 560 . 1 1 127 127 PHE C C 13 177.40 0.09 . 1 . . . . 127 PHE CO . 6940 1 561 . 1 1 127 127 PHE CA C 13 59.67 0.12 . 1 . . . . 127 PHE CA . 6940 1 562 . 1 1 127 127 PHE CB C 13 36.57 0.27 . 1 . . . . 127 PHE CB . 6940 1 563 . 1 1 128 128 ARG H H 1 8.073 0.01 . 1 . . . . 128 ARG H . 6940 1 564 . 1 1 128 128 ARG C C 13 178.69 0.09 . 1 . . . . 128 ARG CO . 6940 1 565 . 1 1 128 128 ARG CA C 13 58.40 0.12 . 1 . . . . 128 ARG CA . 6940 1 566 . 1 1 128 128 ARG CB C 13 29.33 0.23 . 1 . . . . 128 ARG CB . 6940 1 567 . 1 1 128 128 ARG N N 15 120.85 0.23 . 1 . . . . 128 ARG N . 6940 1 568 . 1 1 129 129 GLY H H 1 8.414 0.01 . 1 . . . . 129 GLY H . 6940 1 569 . 1 1 129 129 GLY C C 13 176.55 0.09 . 1 . . . . 129 GLY CO . 6940 1 570 . 1 1 129 129 GLY CA C 13 47.22 0.12 . 1 . . . . 129 GLY CA . 6940 1 571 . 1 1 129 129 GLY N N 15 107.87 0.23 . 1 . . . . 129 GLY N . 6940 1 572 . 1 1 130 130 VAL H H 1 7.676 0.01 . 1 . . . . 130 VAL H . 6940 1 573 . 1 1 130 130 VAL C C 13 177.39 0.09 . 1 . . . . 130 VAL CO . 6940 1 574 . 1 1 130 130 VAL CA C 13 65.25 0.12 . 1 . . . . 130 VAL CA . 6940 1 575 . 1 1 130 130 VAL CB C 13 29.99 0.23 . 1 . . . . 130 VAL CB . 6940 1 576 . 1 1 130 130 VAL N N 15 122.75 0.23 . 1 . . . . 130 VAL N . 6940 1 577 . 1 1 131 131 SER H H 1 8.582 0.01 . 1 . . . . 131 SER H . 6940 1 578 . 1 1 131 131 SER CA C 13 60.72 0.12 . 1 . . . . 131 SER CA . 6940 1 579 . 1 1 131 131 SER CB C 13 61.01 0.23 . 1 . . . . 131 SER CB . 6940 1 580 . 1 1 131 131 SER N N 15 112.53 0.23 . 1 . . . . 131 SER N . 6940 1 581 . 1 1 132 132 THR C C 13 175.76 0.09 . 1 . . . . 132 THR CO . 6940 1 582 . 1 1 132 132 THR CA C 13 61.50 0.12 . 1 . . . . 132 THR CA . 6940 1 583 . 1 1 132 132 THR CB C 13 68.51 0.27 . 1 . . . . 132 THR CB . 6940 1 584 . 1 1 133 133 ILE H H 1 8.033 0.01 . 1 . . . . 133 ILE H . 6940 1 585 . 1 1 133 133 ILE CA C 13 56.44 0.12 . 1 . . . . 133 ILE CA . 6940 1 586 . 1 1 133 133 ILE N N 15 127.68 0.23 . 1 . . . . 133 ILE N . 6940 1 587 . 1 1 134 134 VAL C C 13 176.92 0.09 . 1 . . . . 134 VAL CO . 6940 1 588 . 1 1 134 134 VAL CA C 13 62.88 0.12 . 1 . . . . 134 VAL CA . 6940 1 589 . 1 1 134 134 VAL CB C 13 30.26 0.27 . 1 . . . . 134 VAL CB . 6940 1 590 . 1 1 135 135 SER H H 1 7.984 0.01 . 1 . . . . 135 SER H . 6940 1 591 . 1 1 135 135 SER C C 13 177.72 0.09 . 1 . . . . 135 SER CO . 6940 1 592 . 1 1 135 135 SER CA C 13 59.38 0.12 . 1 . . . . 135 SER CA . 6940 1 593 . 1 1 135 135 SER CB C 13 63.40 0.23 . 1 . . . . 135 SER CB . 6940 1 594 . 1 1 135 135 SER N N 15 121.82 0.23 . 1 . . . . 135 SER N . 6940 1 595 . 1 1 136 136 LYS H H 1 8.415 0.01 . 1 . . . . 136 LYS H . 6940 1 596 . 1 1 136 136 LYS CA C 13 58.27 0.12 . 1 . . . . 136 LYS CA . 6940 1 597 . 1 1 136 136 LYS CB C 13 26.66 0.23 . 1 . . . . 136 LYS CB . 6940 1 598 . 1 1 136 136 LYS N N 15 121.83 0.23 . 1 . . . . 136 LYS N . 6940 1 599 . 1 1 137 137 LEU C C 13 176.47 0.09 . 1 . . . . 137 LEU CO . 6940 1 600 . 1 1 137 137 LEU CA C 13 56.44 0.12 . 1 . . . . 137 LEU CA . 6940 1 601 . 1 1 137 137 LEU CB C 13 37.95 0.27 . 1 . . . . 137 LEU CB . 6940 1 602 . 1 1 138 138 PHE H H 1 7.963 0.01 . 1 . . . . 138 PHE H . 6940 1 603 . 1 1 138 138 PHE C C 13 177.58 0.09 . 1 . . . . 138 PHE CO . 6940 1 604 . 1 1 138 138 PHE CA C 13 55.28 0.12 . 1 . . . . 138 PHE CA . 6940 1 605 . 1 1 138 138 PHE CB C 13 40.88 0.23 . 1 . . . . 138 PHE CB . 6940 1 606 . 1 1 138 138 PHE N N 15 125.91 0.23 . 1 . . . . 138 PHE N . 6940 1 607 . 1 1 139 139 ASN H H 1 8.314 0.01 . 1 . . . . 139 ASN H . 6940 1 608 . 1 1 139 139 ASN C C 13 177.35 0.09 . 1 . . . . 139 ASN CO . 6940 1 609 . 1 1 139 139 ASN CA C 13 56.50 0.12 . 1 . . . . 139 ASN CA . 6940 1 610 . 1 1 139 139 ASN N N 15 120.99 0.23 . 1 . . . . 139 ASN N . 6940 1 611 . 1 1 140 140 LEU H H 1 8.143 0.01 . 1 . . . . 140 LEU H . 6940 1 612 . 1 1 140 140 LEU C C 13 177.62 0.09 . 1 . . . . 140 LEU CO . 6940 1 613 . 1 1 140 140 LEU CA C 13 56.28 0.12 . 1 . . . . 140 LEU CA . 6940 1 614 . 1 1 140 140 LEU CB C 13 41.51 0.27 . 1 . . . . 140 LEU CB . 6940 1 615 . 1 1 140 140 LEU N N 15 118.19 0.12 . 1 . . . . 140 LEU N . 6940 1 616 . 1 1 141 141 VAL H H 1 8.407 0.01 . 1 . . . . 141 VAL H . 6940 1 617 . 1 1 141 141 VAL C C 13 175.00 0.09 . 1 . . . . 141 VAL CO . 6940 1 618 . 1 1 141 141 VAL CA C 13 62.35 0.12 . 1 . . . . 141 VAL CA . 6940 1 619 . 1 1 141 141 VAL CB C 13 30.82 0.23 . 1 . . . . 141 VAL CB . 6940 1 620 . 1 1 141 141 VAL N N 15 115.34 0.23 . 1 . . . . 141 VAL N . 6940 1 621 . 1 1 142 142 GLN H H 1 7.580 0.01 . 1 . . . . 142 GLN H . 6940 1 622 . 1 1 142 142 GLN CA C 13 55.24 0.12 . 1 . . . . 142 GLN CA . 6940 1 623 . 1 1 142 142 GLN CB C 13 26.35 0.23 . 1 . . . . 142 GLN CB . 6940 1 624 . 1 1 142 142 GLN N N 15 110.58 0.23 . 1 . . . . 142 GLN N . 6940 1 625 . 1 1 143 143 PRO C C 13 176.37 0.09 . 1 . . . . 143 PRO CO . 6940 1 626 . 1 1 143 143 PRO CA C 13 61.88 0.12 . 1 . . . . 143 PRO CA . 6940 1 627 . 1 1 143 143 PRO CB C 13 30.30 0.27 . 1 . . . . 143 PRO CB . 6940 1 628 . 1 1 144 144 ASP H H 1 9.001 0.01 . 1 . . . . 144 ASP H . 6940 1 629 . 1 1 144 144 ASP C C 13 177.41 0.09 . 1 . . . . 144 ASP CO . 6940 1 630 . 1 1 144 144 ASP CA C 13 55.93 0.12 . 1 . . . . 144 ASP CA . 6940 1 631 . 1 1 144 144 ASP CB C 13 41.92 0.23 . 1 . . . . 144 ASP CB . 6940 1 632 . 1 1 144 144 ASP N N 15 116.47 0.23 . 1 . . . . 144 ASP N . 6940 1 633 . 1 1 145 145 ILE H H 1 7.750 0.01 . 1 . . . . 145 ILE H . 6940 1 634 . 1 1 145 145 ILE C C 13 175.70 0.09 . 1 . . . . 145 ILE CO . 6940 1 635 . 1 1 145 145 ILE CA C 13 57.81 0.12 . 1 . . . . 145 ILE CA . 6940 1 636 . 1 1 145 145 ILE CB C 13 40.77 0.23 . 1 . . . . 145 ILE CB . 6940 1 637 . 1 1 145 145 ILE N N 15 116.38 0.23 . 1 . . . . 145 ILE N . 6940 1 638 . 1 1 146 146 ALA H H 1 9.002 0.01 . 1 . . . . 146 ALA H . 6940 1 639 . 1 1 146 146 ALA C C 13 176.60 0.09 . 1 . . . . 146 ALA CO . 6940 1 640 . 1 1 146 146 ALA CA C 13 50.19 0.12 . 1 . . . . 146 ALA CA . 6940 1 641 . 1 1 146 146 ALA CB C 13 21.54 0.23 . 1 . . . . 146 ALA CB . 6940 1 642 . 1 1 146 146 ALA N N 15 126.51 0.23 . 1 . . . . 146 ALA N . 6940 1 643 . 1 1 147 147 CYS H H 1 7.519 0.01 . 1 . . . . 147 CYS H . 6940 1 644 . 1 1 147 147 CYS C C 13 175.06 0.09 . 1 . . . . 147 CYS CO . 6940 1 645 . 1 1 147 147 CYS CA C 13 56.16 0.12 . 1 . . . . 147 CYS CA . 6940 1 646 . 1 1 147 147 CYS CB C 13 29.21 0.23 . 1 . . . . 147 CYS CB . 6940 1 647 . 1 1 147 147 CYS N N 15 117.57 0.23 . 1 . . . . 147 CYS N . 6940 1 648 . 1 1 148 148 PHE H H 1 8.815 0.01 . 1 . . . . 148 PHE H . 6940 1 649 . 1 1 148 148 PHE C C 13 176.29 0.09 . 1 . . . . 148 PHE CO . 6940 1 650 . 1 1 148 148 PHE CA C 13 55.92 0.12 . 1 . . . . 148 PHE CA . 6940 1 651 . 1 1 148 148 PHE CB C 13 42.86 0.23 . 1 . . . . 148 PHE CB . 6940 1 652 . 1 1 148 148 PHE N N 15 118.84 0.23 . 1 . . . . 148 PHE N . 6940 1 653 . 1 1 149 149 GLY H H 1 9.429 0.01 . 1 . . . . 149 GLY H . 6940 1 654 . 1 1 149 149 GLY C C 13 176.31 0.09 . 1 . . . . 149 GLY CO . 6940 1 655 . 1 1 149 149 GLY CA C 13 45.12 0.12 . 1 . . . . 149 GLY CA . 6940 1 656 . 1 1 149 149 GLY N N 15 109.62 0.23 . 1 . . . . 149 GLY N . 6940 1 657 . 1 1 150 150 GLU H H 1 8.407 0.01 . 1 . . . . 150 GLU H . 6940 1 658 . 1 1 150 150 GLU C C 13 177.72 0.09 . 1 . . . . 150 GLU CO . 6940 1 659 . 1 1 150 150 GLU CA C 13 57.42 0.12 . 1 . . . . 150 GLU CA . 6940 1 660 . 1 1 150 150 GLU CB C 13 28.92 0.23 . 1 . . . . 150 GLU CB . 6940 1 661 . 1 1 150 150 GLU N N 15 123.49 0.23 . 1 . . . . 150 GLU N . 6940 1 662 . 1 1 151 151 LYS H H 1 8.327 0.01 . 1 . . . . 151 LYS H . 6940 1 663 . 1 1 151 151 LYS CA C 13 58.11 0.12 . 1 . . . . 151 LYS CA . 6940 1 664 . 1 1 151 151 LYS CB C 13 30.12 0.23 . 1 . . . . 151 LYS CB . 6940 1 665 . 1 1 151 151 LYS N N 15 116.82 0.23 . 1 . . . . 151 LYS N . 6940 1 666 . 1 1 152 152 ASP H H 1 7.414 0.01 . 1 . . . . 152 ASP H . 6940 1 667 . 1 1 152 152 ASP C C 13 177.28 0.09 . 1 . . . . 152 ASP CO . 6940 1 668 . 1 1 152 152 ASP CA C 13 52.14 0.12 . 1 . . . . 152 ASP CA . 6940 1 669 . 1 1 152 152 ASP N N 15 118.42 0.23 . 1 . . . . 152 ASP N . 6940 1 670 . 1 1 153 153 PHE H H 1 7.742 0.01 . 1 . . . . 153 PHE H . 6940 1 671 . 1 1 153 153 PHE C C 13 176.78 0.09 . 1 . . . . 153 PHE CO . 6940 1 672 . 1 1 153 153 PHE CA C 13 60.73 0.12 . 1 . . . . 153 PHE CA . 6940 1 673 . 1 1 153 153 PHE CB C 13 37.13 0.27 . 1 . . . . 153 PHE CB . 6940 1 674 . 1 1 153 153 PHE N N 15 122.33 0.12 . 1 . . . . 153 PHE N . 6940 1 675 . 1 1 154 154 GLN H H 1 8.448 0.01 . 1 . . . . 154 GLN H . 6940 1 676 . 1 1 154 154 GLN CA C 13 55.76 0.12 . 1 . . . . 154 GLN CA . 6940 1 677 . 1 1 154 154 GLN CB C 13 28.89 0.23 . 1 . . . . 154 GLN CB . 6940 1 678 . 1 1 154 154 GLN N N 15 125.38 0.23 . 1 . . . . 154 GLN N . 6940 1 679 . 1 1 155 155 GLN H H 1 7.967 0.01 . 1 . . . . 155 GLN H . 6940 1 680 . 1 1 155 155 GLN C C 13 177.07 0.09 . 1 . . . . 155 GLN CO . 6940 1 681 . 1 1 155 155 GLN CA C 13 59.67 0.12 . 1 . . . . 155 GLN CA . 6940 1 682 . 1 1 155 155 GLN N N 15 126.21 0.23 . 1 . . . . 155 GLN N . 6940 1 683 . 1 1 156 156 LEU H H 1 8.335 0.01 . 1 . . . . 156 LEU H . 6940 1 684 . 1 1 156 156 LEU C C 13 172.37 0.09 . 1 . . . . 156 LEU CO . 6940 1 685 . 1 1 156 156 LEU N N 15 122.72 0.23 . 1 . . . . 156 LEU N . 6940 1 686 . 1 1 157 157 ALA H H 1 7.351 0.01 . 1 . . . . 157 ALA H . 6940 1 687 . 1 1 157 157 ALA CA C 13 49.40 0.12 . 1 . . . . 157 ALA CA . 6940 1 688 . 1 1 157 157 ALA CB C 13 18.67 0.23 . 1 . . . . 157 ALA CB . 6940 1 689 . 1 1 157 157 ALA N N 15 113.67 0.23 . 1 . . . . 157 ALA N . 6940 1 690 . 1 1 158 158 LEU H H 1 8.748 0.01 . 1 . . . . 158 LEU H . 6940 1 691 . 1 1 158 158 LEU C C 13 177.96 0.09 . 1 . . . . 158 LEU CO . 6940 1 692 . 1 1 158 158 LEU N N 15 115.86 0.12 . 1 . . . . 158 LEU N . 6940 1 693 . 1 1 159 159 ILE H H 1 7.982 0.01 . 1 . . . . 159 ILE H . 6940 1 694 . 1 1 159 159 ILE C C 13 177.98 0.09 . 1 . . . . 159 ILE CO . 6940 1 695 . 1 1 159 159 ILE CA C 13 62.90 0.12 . 1 . . . . 159 ILE CA . 6940 1 696 . 1 1 159 159 ILE CB C 13 34.61 0.27 . 1 . . . . 159 ILE CB . 6940 1 697 . 1 1 159 159 ILE N N 15 119.20 0.23 . 1 . . . . 159 ILE N . 6940 1 698 . 1 1 160 160 ARG H H 1 8.502 0.01 . 1 . . . . 160 ARG H . 6940 1 699 . 1 1 160 160 ARG C C 13 178.62 0.09 . 1 . . . . 160 ARG CO . 6940 1 700 . 1 1 160 160 ARG CA C 13 60.69 0.12 . 1 . . . . 160 ARG CA . 6940 1 701 . 1 1 160 160 ARG CB C 13 28.03 0.23 . 1 . . . . 160 ARG CB . 6940 1 702 . 1 1 160 160 ARG N N 15 118.18 0.23 . 1 . . . . 160 ARG N . 6940 1 703 . 1 1 161 161 LYS H H 1 7.704 0.01 . 1 . . . . 161 LYS H . 6940 1 704 . 1 1 161 161 LYS C C 13 177.39 0.09 . 1 . . . . 161 LYS CO . 6940 1 705 . 1 1 161 161 LYS CA C 13 58.97 0.12 . 1 . . . . 161 LYS CA . 6940 1 706 . 1 1 161 161 LYS CB C 13 30.23 0.23 . 1 . . . . 161 LYS CB . 6940 1 707 . 1 1 161 161 LYS N N 15 120.72 0.23 . 1 . . . . 161 LYS N . 6940 1 708 . 1 1 162 162 MET H H 1 8.490 0.01 . 1 . . . . 162 MET H . 6940 1 709 . 1 1 162 162 MET C C 13 178.29 0.09 . 1 . . . . 162 MET CO . 6940 1 710 . 1 1 162 162 MET CA C 13 58.65 0.12 . 1 . . . . 162 MET CA . 6940 1 711 . 1 1 162 162 MET CB C 13 32.51 0.23 . 1 . . . . 162 MET CB . 6940 1 712 . 1 1 162 162 MET N N 15 119.34 0.23 . 1 . . . . 162 MET N . 6940 1 713 . 1 1 163 163 VAL H H 1 8.672 0.01 . 1 . . . . 163 VAL H . 6940 1 714 . 1 1 163 163 VAL C C 13 177.83 0.09 . 1 . . . . 163 VAL CO . 6940 1 715 . 1 1 163 163 VAL CA C 13 66.65 0.12 . 1 . . . . 163 VAL CA . 6940 1 716 . 1 1 163 163 VAL CB C 13 30.25 0.23 . 1 . . . . 163 VAL CB . 6940 1 717 . 1 1 163 163 VAL N N 15 117.57 0.23 . 1 . . . . 163 VAL N . 6940 1 718 . 1 1 164 164 ALA H H 1 7.701 0.01 . 1 . . . . 164 ALA H . 6940 1 719 . 1 1 164 164 ALA C C 13 179.27 0.09 . 1 . . . . 164 ALA CO . 6940 1 720 . 1 1 164 164 ALA CA C 13 54.26 0.12 . 1 . . . . 164 ALA CA . 6940 1 721 . 1 1 164 164 ALA CB C 13 16.83 0.23 . 1 . . . . 164 ALA CB . 6940 1 722 . 1 1 164 164 ALA N N 15 122.17 0.23 . 1 . . . . 164 ALA N . 6940 1 723 . 1 1 165 165 ASP H H 1 7.596 0.01 . 1 . . . . 165 ASP H . 6940 1 724 . 1 1 165 165 ASP C C 13 178.73 0.09 . 1 . . . . 165 ASP CO . 6940 1 725 . 1 1 165 165 ASP CA C 13 57.74 0.12 . 1 . . . . 165 ASP CA . 6940 1 726 . 1 1 165 165 ASP CB C 13 40.20 0.23 . 1 . . . . 165 ASP CB . 6940 1 727 . 1 1 165 165 ASP N N 15 119.90 0.23 . 1 . . . . 165 ASP N . 6940 1 728 . 1 1 166 166 MET H H 1 8.716 0.01 . 1 . . . . 166 MET H . 6940 1 729 . 1 1 166 166 MET C C 13 178.05 0.09 . 1 . . . . 166 MET CO . 6940 1 730 . 1 1 166 166 MET CA C 13 55.90 0.12 . 1 . . . . 166 MET CA . 6940 1 731 . 1 1 166 166 MET CB C 13 34.63 0.23 . 1 . . . . 166 MET CB . 6940 1 732 . 1 1 166 166 MET N N 15 118.21 0.23 . 1 . . . . 166 MET N . 6940 1 733 . 1 1 167 167 GLY H H 1 7.598 0.01 . 1 . . . . 167 GLY H . 6940 1 734 . 1 1 167 167 GLY C C 13 176.28 0.09 . 1 . . . . 167 GLY CO . 6940 1 735 . 1 1 167 167 GLY CA C 13 45.47 0.12 . 1 . . . . 167 GLY CA . 6940 1 736 . 1 1 167 167 GLY N N 15 104.86 0.12 . 1 . . . . 167 GLY N . 6940 1 737 . 1 1 168 168 PHE H H 1 7.236 0.01 . 1 . . . . 168 PHE H . 6940 1 738 . 1 1 168 168 PHE C C 13 177.10 0.09 . 1 . . . . 168 PHE CO . 6940 1 739 . 1 1 168 168 PHE CA C 13 58.39 0.12 . 1 . . . . 168 PHE CA . 6940 1 740 . 1 1 168 168 PHE CB C 13 38.93 0.23 . 1 . . . . 168 PHE CB . 6940 1 741 . 1 1 168 168 PHE N N 15 115.76 0.23 . 1 . . . . 168 PHE N . 6940 1 742 . 1 1 169 169 ASP H H 1 9.461 0.01 . 1 . . . . 169 ASP H . 6940 1 743 . 1 1 169 169 ASP C C 13 176.21 0.09 . 1 . . . . 169 ASP CO . 6940 1 744 . 1 1 169 169 ASP CA C 13 51.54 0.12 . 1 . . . . 169 ASP CA . 6940 1 745 . 1 1 169 169 ASP CB C 13 37.10 0.23 . 1 . . . . 169 ASP CB . 6940 1 746 . 1 1 169 169 ASP N N 15 127.74 0.23 . 1 . . . . 169 ASP N . 6940 1 747 . 1 1 170 170 ILE H H 1 6.786 0.01 . 1 . . . . 170 ILE H . 6940 1 748 . 1 1 170 170 ILE C C 13 176.25 0.09 . 1 . . . . 170 ILE CO . 6940 1 749 . 1 1 170 170 ILE CA C 13 59.28 0.12 . 1 . . . . 170 ILE CA . 6940 1 750 . 1 1 170 170 ILE CB C 13 41.51 0.23 . 1 . . . . 170 ILE CB . 6940 1 751 . 1 1 170 170 ILE N N 15 118.85 0.23 . 1 . . . . 170 ILE N . 6940 1 752 . 1 1 171 171 GLU H H 1 7.983 0.01 . 1 . . . . 171 GLU H . 6940 1 753 . 1 1 171 171 GLU C C 13 176.25 0.09 . 1 . . . . 171 GLU CO . 6940 1 754 . 1 1 171 171 GLU CA C 13 55.24 0.12 . 1 . . . . 171 GLU CA . 6940 1 755 . 1 1 171 171 GLU CB C 13 28.76 0.23 . 1 . . . . 171 GLU CB . 6940 1 756 . 1 1 171 171 GLU N N 15 127.72 0.23 . 1 . . . . 171 GLU N . 6940 1 757 . 1 1 172 172 ILE H H 1 8.760 0.01 . 1 . . . . 172 ILE H . 6940 1 758 . 1 1 172 172 ILE C C 13 176.72 0.09 . 1 . . . . 172 ILE CO . 6940 1 759 . 1 1 172 172 ILE CA C 13 57.21 0.12 . 1 . . . . 172 ILE CA . 6940 1 760 . 1 1 172 172 ILE CB C 13 33.42 0.23 . 1 . . . . 172 ILE CB . 6940 1 761 . 1 1 172 172 ILE N N 15 127.80 0.23 . 1 . . . . 172 ILE N . 6940 1 762 . 1 1 173 173 VAL H H 1 9.105 0.01 . 1 . . . . 173 VAL H . 6940 1 763 . 1 1 173 173 VAL C C 13 176.37 0.09 . 1 . . . . 173 VAL CO . 6940 1 764 . 1 1 173 173 VAL CA C 13 61.08 0.12 . 1 . . . . 173 VAL CA . 6940 1 765 . 1 1 173 173 VAL CB C 13 32.26 0.23 . 1 . . . . 173 VAL CB . 6940 1 766 . 1 1 173 173 VAL N N 15 131.79 0.23 . 1 . . . . 173 VAL N . 6940 1 767 . 1 1 174 174 GLY H H 1 8.694 0.01 . 1 . . . . 174 GLY H . 6940 1 768 . 1 1 174 174 GLY C C 13 175.68 0.09 . 1 . . . . 174 GLY CO . 6940 1 769 . 1 1 174 174 GLY CA C 13 43.46 0.12 . 1 . . . . 174 GLY CA . 6940 1 770 . 1 1 174 174 GLY N N 15 114.36 0.23 . 1 . . . . 174 GLY N . 6940 1 771 . 1 1 175 175 VAL H H 1 8.820 0.01 . 1 . . . . 175 VAL H . 6940 1 772 . 1 1 175 175 VAL CA C 13 58.54 0.12 . 1 . . . . 175 VAL CA . 6940 1 773 . 1 1 175 175 VAL CB C 13 32.08 0.23 . 1 . . . . 175 VAL CB . 6940 1 774 . 1 1 175 175 VAL N N 15 126.25 0.23 . 1 . . . . 175 VAL N . 6940 1 stop_ save_